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

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

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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=C(C=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=C(C=C4)OC)Cl

InChI

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