1-(7-chloranyl-1-methyl-2-oxidanylidene-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)-3-[4-(diethylamino)-2-methyl-phenyl]thiourea

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)-3-[4-(diethylamino)-2-methyl-phenyl]thiourea Openeye Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methyl-phenyl]thiourea CAS Name: 1-[7-chloro-1-methyl-2-oxo-5-(3-pyridinyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methylphenyl]thiourea IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-pyridin-3-yl-3H-1,4-benzodiazepin-3-yl)-3-[4-(diethylamino)-2-methylphenyl]thiourea Traditional Name: 1-[7-chloro-2-keto-1-methyl-5-(3-pyridyl)-3H-1,4-benzodiazepin-3-yl]-3-[4-(diethylamino)-2-methyl-phenyl]thiourea Formula: C27H29ClN6OS MolecularWeight: 521.07676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CN=CC=C4)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=S)NC2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CN=CC=C4)C)C

InChI

InChI=1S/C27H29ClN6OS/c1-5-34(6-2)20-10-11-22(17(3)14-20)30-27(36)32-25-26(35)33(4)23-12-9-19(28)15-21(23)24(31-25)18-8-7-13-29-16-18/h7-16,25H,5-6H2,1-4H3,(H2,30,32,36)