ethyl N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]quinazolin-2-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]quinazolin-2-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinazolin-2-yl]carbamothioyl]carbamate CAS Name: N-[[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methyl-4-imidazolyl)methyl]-2-quinazolinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinazolin-2-yl]carbamothioyl]carbamate Traditional Name: N-[[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]quinazolin-2-yl]thiocarbamoyl]carbamic acid ethyl ester Formula: C29H24Cl2N6O3S MolecularWeight: 607.51026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4C)O)C(=N1)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC(=O)NC(=S)NC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4C)O)C(=N1)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H24Cl2N6O3S/c1-3-40-28(38)36-27(41)35-26-33-23-12-9-19(14-22(23)25(34-26)17-5-4-6-21(31)13-17)29(39,24-15-32-16-37(24)2)18-7-10-20(30)11-8-18/h4-16,39H,3H2,1-2H3,(H2,33,34,35,36,38,41)