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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS2/c1-4-5-6-15-8-10-17-18(12-15)27-21(22-17)24-20(26)23-19(25)16-9-7-13(2)14(3)11-16/h7-12H,4-6H2,1-3H3,(H2,22,23,24,25,26)