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

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxybenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methoxy-benzamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-3-4-6-13-9-10-16-17(11-13)27-20(21-16)23-19(26)22-18(24)14-7-5-8-15(12-14)25-2/h5,7-12H,3-4,6H2,1-2H3,(H2,21,22,23,24,26)