2-(carbamothioylamino)-N-(8-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-propanamide

Systemtic Name: 2-(carbamothioylamino)-N-(8-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-propanamide Openeye Name: 2-(carbamothioylamino)-N-(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-propanamide CAS Name: 2-(carbamothioylamino)-N-(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide IUPAC Name: 2-(carbamothioylamino)-N-(8-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenylpropanamide Traditional Name: N-(2-keto-8-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-3-phenyl-2-thioureido-propionamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)OC)C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=S)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC(=C2)OC)C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O3S/c1-32-22-16-19(35-2)13-14-20(22)23(18-11-7-4-8-12-18)30-24(26(32)34)31-25(33)21(29-27(28)36)15-17-9-5-3-6-10-17/h3-14,16,21,24H,15H2,1-2H3,(H,31,33)(H3,28,29,36)