N-tert-butyl-N-[3-[(3-methylthiophen-2-yl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-N-[3-[(3-methylthiophen-2-yl)carbamoylamino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanamide Openeye Name: N-tert-butyl-N-[3-[(3-methyl-2-thienyl)carbamoylamino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetamide CAS Name: N-tert-butyl-N-[3-[[[(3-methyl-2-thiophenyl)amino]-oxomethyl]amino]-2-oxo-5,7-diphenyl-1-azepanyl]acetamide IUPAC Name: N-tert-butyl-N-[3-[(3-methylthiophen-2-yl)carbamoylamino]-2-oxo-5,7-diphenylazepan-1-yl]acetamide Traditional Name: N-tert-butyl-N-[2-keto-3-[(3-methyl-2-thienyl)carbamoylamino]-5,7-diphenyl-azepan-1-yl]acetamide Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)NC(=O)NC2CC(CC(N(C2=O)N(C(=O)C)C(C)(C)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4O3S/c1-20-16-17-38-27(20)32-29(37)31-25-18-24(22-12-8-6-9-13-22)19-26(23-14-10-7-11-15-23)33(28(25)36)34(21(2)35)30(3,4)5/h6-17,24-26H,18-19H2,1-5H3,(H2,31,32,37)