N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-3-butoxybenzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-butoxy-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O3S2/c1-3-4-10-28-16-7-5-6-14(11-16)19(27)24-20(29)25-21-23-17-9-8-15(22-13(2)26)12-18(17)30-21/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,26)(H2,23,24,25,27,29)