N-[2-[[(3R)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[[(3R)-2-oxidanylideneazepan-3-yl]carbamoyl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[[(3R)-2-oxoazepan-3-yl]carbamoyl]phenyl]benzothiophene-2-carboxamide CAS Name: N-[2-[oxo-[[(3R)-2-oxo-3-azepanyl]amino]methyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[[(3R)-2-oxoazepan-3-yl]carbamoyl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[[(3R)-2-ketoazepan-3-yl]carbamoyl]phenyl]benzothiophene-2-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)/t17-/m1/s1