N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-naphthamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C21H17N3O3S2/c1-26-15-10-16(27-2)18-17(11-15)29-21(22-18)24-20(28)23-19(25)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,22,23,24,25,28)