N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[4-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[4-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-[4-(5-chloro-2-methoxy-benzoyl)piperazino]phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C28H29ClN4O4S MolecularWeight: 553.07226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C28H29ClN4O4S/c1-18-5-4-6-22(25(18)37-3)26(34)31-28(38)30-20-8-10-21(11-9-20)32-13-15-33(16-14-32)27(35)23-17-19(29)7-12-24(23)36-2/h4-12,17H,13-16H2,1-3H3,(H2,30,31,34,38)