S-[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl] ethanethioate

Systemtic Name: S-[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl] ethanethioate Openeye Name: S-(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate CAS Name: ethanethioic acid S-[2-phenyl-1-(phenylmethyl)-1,5-benzodiazepin-4-yl] ester IUPAC Name: S-(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-benzyl-2-phenyl-1,5-benzodiazepin-4-yl) ester Formula: C24H20N2OS MolecularWeight: 384.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N2OS/c1-18(27)28-24-16-23(20-12-6-3-7-13-20)26(17-19-10-4-2-5-11-19)22-15-9-8-14-21(22)25-24/h2-16H,17H2,1H3