methyl 4-[[(1-oxidanylidenenaphthalen-2-ylidene)methylamino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(1-oxidanylidenenaphthalen-2-ylidene)methylamino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(1-oxo-2-naphthylidene)methylamino]carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2-naphthalenylidene)methylhydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1-oxonaphthalen-2-ylidene)methylamino]carbamothioylamino]benzoate Traditional Name: 4-[[(1-keto-2-naphthylidene)methylamino]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NNC=C2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NNC=C2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17N3O3S/c1-26-19(25)14-8-10-16(11-9-14)22-20(27)23-21-12-15-7-6-13-4-2-3-5-17(13)18(15)24/h2-12,21H,1H3,(H2,22,23,27)