[1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate Openeye Name: [1-[(E)-(m-tolylcarbamothioylhydrazono)methyl]-2-naphthyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-[(E)-[[(3-methylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(E)-[(3-methylphenyl)carbamothioylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [1-[(E)-(m-tolylthiocarbamoylhydrazono)methyl]-2-naphthyl] ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H25N3O4S/c1-18-7-6-9-21(15-18)30-28(36)31-29-17-23-22-10-5-4-8-19(22)11-13-24(23)35-27(32)20-12-14-25(33-2)26(16-20)34-3/h4-17H,1-3H3,(H2,30,31,36)/b29-17+