N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-chloro-2-methoxy-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-chloro-2-methoxybenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-chloro-2-methoxy-benzamide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S2/c1-3-4-5-12-6-8-15-17(10-12)28-20(22-15)24-19(27)23-18(25)14-11-13(21)7-9-16(14)26-2/h6-11H,3-5H2,1-2H3,(H2,22,23,24,25,27)