S-[3-methyl-1-oxidanylidene-1-[(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)amino]pentan-2-yl] ethanethioate

Systemtic Name: S-[3-methyl-1-oxidanylidene-1-[(2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)amino]pentan-2-yl] ethanethioate Openeye Name: S-[2-methyl-1-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)carbamoyl]butyl] ethanethioate CAS Name: ethanethioic acid S-[3-methyl-1-oxo-1-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)amino]pentan-2-yl] ester IUPAC Name: S-[3-methyl-1-oxo-1-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)amino]pentan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[(2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)carbamoyl]-2-methyl-butyl] ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NN1C(=O)CCCC2=CC=CC=C21)SC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NN1C(=O)CCCC2=CC=CC=C21)SC(=O)C

InChI

InChI=1S/C18H24N2O3S/c1-4-12(2)17(24-13(3)21)18(23)19-20-15-10-6-5-8-14(15)9-7-11-16(20)22/h5-6,8,10,12,17H,4,7,9,11H2,1-3H3,(H,19,23)