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

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C30H33ClN4O4S MolecularWeight: 581.12542

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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(=CC=C4)OCC)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)OCC)Cl

InChI

InChI=1S/C30H33ClN4O4S/c1-3-18-39-24-11-8-21(9-12-24)29(37)35-16-14-34(15-17-35)27-13-10-23(20-26(27)31)32-30(40)33-28(36)22-6-5-7-25(19-22)38-4-2/h5-13,19-20H,3-4,14-18H2,1-2H3,(H2,32,33,36,40)