[1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate

Systemtic Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate Openeye Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazono]methyl]-2-naphthyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [1-[(E)-[[(3-chloroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [1-[(E)-[(3-chlorophenyl)thiocarbamoylhydrazono]methyl]-2-naphthyl] ester Formula: C27H22ClN3O3S MolecularWeight: 503.99988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H22ClN3O3S/c1-2-33-22-13-10-19(11-14-22)26(32)34-25-15-12-18-6-3-4-9-23(18)24(25)17-29-31-27(35)30-21-8-5-7-20(28)16-21/h3-17H,2H2,1H3,(H2,30,31,35)/b29-17+