methyl N-[1-[(3-chlorophenyl)carbamoyl]-5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]sulfanyl-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[1-[(3-chlorophenyl)carbamoyl]-5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]sulfanyl-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[1-[(3-chlorophenyl)carbamoyl]-5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]sulfanyl-benzimidazol-2-yl]carbamate CAS Name: N-[1-[(3-chloroanilino)-oxomethyl]-5-[[4-[[(3-chloroanilino)-oxomethyl]amino]phenyl]thio]-2-benzimidazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[(3-chlorophenyl)carbamoyl]-5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]sulfanylbenzimidazol-2-yl]carbamate Traditional Name: N-[1-[(3-chlorophenyl)carbamoyl]-5-[[4-[(3-chlorophenyl)carbamoylamino]phenyl]thio]benzimidazol-2-yl]carbamic acid methyl ester Formula: C29H22Cl2N6O4S MolecularWeight: 621.49378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1C(=O)NC3=CC(=CC=C3)Cl)C=CC(=C2)SC4=CC=C(C=C4)NC(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

COC(=O)NC1=NC2=C(N1C(=O)NC3=CC(=CC=C3)Cl)C=CC(=C2)SC4=CC=C(C=C4)NC(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H22Cl2N6O4S/c1-41-29(40)36-26-35-24-16-23(12-13-25(24)37(26)28(39)34-21-7-3-5-18(31)15-21)42-22-10-8-19(9-11-22)32-27(38)33-20-6-2-4-17(30)14-20/h2-16H,1H3,(H,34,39)(H2,32,33,38)(H,35,36,40)