ethyl 2-[4-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1H-1,5-benzodiazepin-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-1H-1,5-benzodiazepin-2-yl]ethanoate Openeye Name: ethyl 2-[4-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1H-1,5-benzodiazepin-2-yl]acetate CAS Name: 2-[4-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-1H-1,5-benzodiazepin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1H-1,5-benzodiazepin-2-yl]acetate Traditional Name: 2-[4-[(2-cumidino-2-keto-ethyl)thio]-1H-1,5-benzodiazepin-2-yl]acetic acid ethyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC(=NC2=CC=CC=C2N1)SCC(=O)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)CC1=CC(=NC2=CC=CC=C2N1)SCC(=O)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H27N3O3S/c1-4-30-24(29)14-19-13-23(27-21-8-6-5-7-20(21)25-19)31-15-22(28)26-18-11-9-17(10-12-18)16(2)3/h5-13,16,25H,4,14-15H2,1-3H3,(H,26,28)