methyl 4-[naphthalen-1-ylcarbothioylcarbamoyl(prop-2-ynyl)amino]benzoate

Systemtic Name: methyl 4-[naphthalen-1-ylcarbothioylcarbamoyl(prop-2-ynyl)amino]benzoate Openeye Name: methyl 4-[naphthalene-1-carbothioylcarbamoyl(prop-2-ynyl)amino]benzoate CAS Name: 4-[[[[1-naphthalenyl(sulfanylidene)methyl]amino]-oxomethyl]-prop-2-ynylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[naphthalene-1-carbothioylcarbamoyl(prop-2-ynyl)amino]benzoate Traditional Name: 4-[naphthalene-1-carbothioylcarbamoyl(propargyl)amino]benzoic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N(CC#C)C(=O)NC(=S)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N(CC#C)C(=O)NC(=S)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H18N2O3S/c1-3-15-25(18-13-11-17(12-14-18)22(26)28-2)23(27)24-21(29)20-10-6-8-16-7-4-5-9-19(16)20/h1,4-14H,15H2,2H3,(H,24,27,29)