1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-(5-isoquinolyl)thiourea Formula: C26H20ClN5OS MolecularWeight: 485.9879

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=S)NC3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20ClN5OS/c1-32-22-11-10-18(27)14-20(22)23(16-6-3-2-4-7-16)30-24(25(32)33)31-26(34)29-21-9-5-8-17-15-28-13-12-19(17)21/h2-15,24H,1H3,(H2,29,31,34)