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

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]benzamide Formula: C32H37ClN4O3S MolecularWeight: 593.17918

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

InChI

InChI=1S/C32H37ClN4O3S/c1-5-20-40-26-13-8-23(9-14-26)30(39)37-18-16-36(17-19-37)28-15-12-25(21-27(28)33)34-31(41)35-29(38)22-6-10-24(11-7-22)32(2,3)4/h6-15,21H,5,16-20H2,1-4H3,(H2,34,35,38,41)