N-[(2S)-4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-quinolylmethyl)azepan-4-yl]carbamoyl]butyl]benzothiophene-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-quinolinylmethyl)-4-azepanyl]amino]pentan-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(quinolin-2-ylmethyl)azepan-4-yl]amino]pentan-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-quinolylmethyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]benzothiophene-2-carboxamide Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)CC2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)CC2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H34N4O3S/c1-20(2)16-26(34-31(38)29-17-22-9-4-6-12-28(22)39-29)30(37)33-25-11-7-15-35(19-27(25)36)18-23-14-13-21-8-3-5-10-24(21)32-23/h3-6,8-10,12-14,17,20,25-26H,7,11,15-16,18-19H2,1-2H3,(H,33,37)(H,34,38)/t25?,26-/m0/s1