N-(4-acetamidophenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Openeye Name: N-(4-acetamidophenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide CAS Name: N-(4-acetamidophenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetamidophenyl)-3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H23N3O3S/c1-14(25)22-16-7-9-17(10-8-16)23-20(26)12-13-28-19-11-6-15-4-2-3-5-18(15)24-21(19)27/h2-5,7-10,19H,6,11-13H2,1H3,(H,22,25)(H,23,26)(H,24,27)