2-azanyl-2-methyl-N-[1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]imidazol-4-yl]amino]-1-oxidanylidene-3-thiophen-3-yl-propan-2-yl]propanamide

Systemtic Name: 2-azanyl-2-methyl-N-[1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-1-phenyl-ethyl]imidazol-4-yl]amino]-1-oxidanylidene-3-thiophen-3-yl-propan-2-yl]propanamide Openeye Name: 2-amino-2-methyl-N-[2-[[1-[2-(4-methyl-1-piperidyl)-2-oxo-1-phenyl-ethyl]imidazol-4-yl]amino]-2-oxo-1-(3-thienylmethyl)ethyl]propanamide CAS Name: 2-amino-2-methyl-N-[1-[[1-[2-(4-methyl-1-piperidinyl)-2-oxo-1-phenylethyl]-4-imidazolyl]amino]-1-oxo-3-(3-thiophenyl)propan-2-yl]propanamide IUPAC Name: 2-amino-2-methyl-N-[1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-thiophen-3-ylpropan-2-yl]propanamide Traditional Name: 2-amino-N-[2-keto-2-[[1-[2-keto-2-(4-methylpiperidino)-1-phenyl-ethyl]imidazol-4-yl]amino]-1-(3-thenyl)ethyl]-2-methyl-propionamide Formula: C28H36N6O3S MolecularWeight: 536.68884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=C(N=C3)NC(=O)C(CC4=CSC=C4)NC(=O)C(C)(C)N

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=C(N=C3)NC(=O)C(CC4=CSC=C4)NC(=O)C(C)(C)N

InChI

InChI=1S/C28H36N6O3S/c1-19-9-12-33(13-10-19)26(36)24(21-7-5-4-6-8-21)34-16-23(30-18-34)32-25(35)22(15-20-11-14-38-17-20)31-27(37)28(2,3)29/h4-8,11,14,16-19,22,24H,9-10,12-13,15,29H2,1-3H3,(H,31,37)(H,32,35)