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

Systemtic Name: O-[3-(cyclopropylmethyl)-4-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-4-oxidanylidene-butan-2-yl] imidazole-1-carbothioate Openeye Name: O-[2-(cyclopropylmethyl)-1-methyl-3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-3-oxo-propyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[3-(cyclopropylmethyl)-4-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-4-oxobutan-2-yl] ester IUPAC Name: O-[3-(cyclopropylmethyl)-4-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-4-oxobutan-2-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[2-(cyclopropylmethyl)-3-keto-3-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-methyl-propyl] ester Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C28H29N5O3S/c1-18(36-28(37)33-15-14-29-17-33)22(16-19-12-13-19)26(34)31-25-27(35)32(2)23-11-7-6-10-21(23)24(30-25)20-8-4-3-5-9-20/h3-11,14-15,17-19,22,25H,12-13,16H2,1-2H3,(H,31,34)