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

Systemtic Name: 5-bromanyl-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-1-naphthamide Formula: C21H16BrN3O3S2 MolecularWeight: 502.40404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)OC

Isomeric SMILES

COC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br)OC

InChI

InChI=1S/C21H16BrN3O3S2/c1-27-11-9-16(28-2)18-17(10-11)30-21(23-18)25-20(29)24-19(26)14-7-3-6-13-12(14)5-4-8-15(13)22/h3-10H,1-2H3,(H2,23,24,25,26,29)