methyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H18N2O4S/c1-26-18-12-15-6-4-3-5-14(15)11-17(18)19(24)23-21(28)22-16-9-7-13(8-10-16)20(25)27-2/h3-12H,1-2H3,(H2,22,23,24,28)