N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-1-naphthamide Formula: C32H31ClN4O3S MolecularWeight: 587.13154

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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=CC5=CC=CC=C54)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C32H31ClN4O3S/c1-2-20-40-25-13-10-23(11-14-25)31(39)37-18-16-36(17-19-37)29-15-12-24(21-28(29)33)34-32(41)35-30(38)27-9-5-7-22-6-3-4-8-26(22)27/h3-15,21H,2,16-20H2,1H3,(H2,34,35,38,41)