methyl 2-[2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2-phenyl-3H-1,5-benzodiazepin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O3S/c1-31-25(30)18-11-5-6-12-19(18)27-23(29)16-32-24-15-22(17-9-3-2-4-10-17)26-20-13-7-8-14-21(20)28-24/h2-14H,15-16H2,1H3,(H,27,29)