S-[1-oxidanylidene-1-[(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenyl-propan-2-yl] ethanethioate

Systemtic Name: S-[1-oxidanylidene-1-[(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenyl-propan-2-yl] ethanethioate Openeye Name: S-[1-benzyl-2-oxo-2-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-oxo-1-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenylpropan-2-yl] ester IUPAC Name: S-[1-oxo-1-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenylpropan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-benzyl-2-keto-2-[(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CC3=CC=CC=C3CNC2=O

Isomeric SMILES

CC(=O)SC(CC1=CC=CC=C1)C(=O)NC2CC3=CC=CC=C3CNC2=O

InChI

InChI=1S/C21H22N2O3S/c1-14(24)27-19(11-15-7-3-2-4-8-15)21(26)23-18-12-16-9-5-6-10-17(16)13-22-20(18)25/h2-10,18-19H,11-13H2,1H3,(H,22,25)(H,23,26)