N-[(2S)-1-[[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]amino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[[4-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-thiazolyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[[4-(2,5-dimethyl-1-propyl-pyrrol-3-yl)thiazol-2-yl]amino]-2-keto-ethyl]thiophene-2-carboxamide Formula: C26H28N4O2S2 MolecularWeight: 492.65612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CS4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C2=CSC(=N2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4)C

InChI

InChI=1S/C26H28N4O2S2/c1-4-12-30-17(2)14-20(18(30)3)22-16-34-26(28-22)29-24(31)21(15-19-9-6-5-7-10-19)27-25(32)23-11-8-13-33-23/h5-11,13-14,16,21H,4,12,15H2,1-3H3,(H,27,32)(H,28,29,31)/t21-/m0/s1