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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S2/c1-4-5-6-13-7-9-15-18(11-13)29-21(22-15)24-20(28)23-19(25)14-8-10-16(26-2)17(12-14)27-3/h7-12H,4-6H2,1-3H3,(H2,22,23,24,25,28)