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

Systemtic Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-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=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)OC

InChI

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