N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[4-[4-(4-ethylbenzoyl)piperazino]phenyl]thiocarbamoyl]-1-naphthamide Formula: C31H30N4O2S MolecularWeight: 522.6605

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H30N4O2S/c1-2-22-10-12-24(13-11-22)30(37)35-20-18-34(19-21-35)26-16-14-25(15-17-26)32-31(38)33-29(36)28-9-5-7-23-6-3-4-8-27(23)28/h3-17H,2,18-21H2,1H3,(H2,32,33,36,38)