N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C31H35ClN4O4S MolecularWeight: 595.152

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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)OC(C)C)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(C)C)Cl

InChI

InChI=1S/C31H35ClN4O4S/c1-4-18-39-25-11-8-22(9-12-25)30(38)36-16-14-35(15-17-36)28-13-10-24(20-27(28)32)33-31(41)34-29(37)23-6-5-7-26(19-23)40-21(2)3/h5-13,19-21H,4,14-18H2,1-3H3,(H2,33,34,37,41)