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

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C29H31ClN4O4S MolecularWeight: 567.09884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OC)Cl

InChI

InChI=1S/C29H31ClN4O4S/c1-3-17-38-23-10-7-20(8-11-23)28(36)34-15-13-33(14-16-34)26-12-9-22(19-25(26)30)31-29(39)32-27(35)21-5-4-6-24(18-21)37-2/h4-12,18-19H,3,13-17H2,1-2H3,(H2,31,32,35,39)