O-[2-(cyclopropylmethyl)-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-heptan-3-yl] imidazole-1-carbothioate

Systemtic Name: O-[2-(cyclopropylmethyl)-1-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxidanylidene-heptan-3-yl] imidazole-1-carbothioate Openeye Name: O-[1-[1-(cyclopropylmethyl)-2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-2-oxo-ethyl]pentyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[2-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxoheptan-3-yl] ester IUPAC Name: O-[2-(cyclopropylmethyl)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxoheptan-3-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[1-[1-(cyclopropylmethyl)-2-keto-2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]ethyl]pentyl] ester Formula: C31H35N5O3S MolecularWeight: 557.7063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)OC(=S)N5C=CN=C5

Isomeric SMILES

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C)OC(=S)N5C=CN=C5

InChI

InChI=1S/C31H35N5O3S/c1-3-4-14-26(39-31(40)36-18-17-32-20-36)24(19-21-15-16-21)29(37)34-28-30(38)35(2)25-13-9-8-12-23(25)27(33-28)22-10-6-5-7-11-22/h5-13,17-18,20-21,24,26,28H,3-4,14-16,19H2,1-2H3,(H,34,37)