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

Systemtic Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(6-acetamido-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O3S2/c1-12(2)11-28-16-7-4-14(5-8-16)19(27)24-20(29)25-21-23-17-9-6-15(22-13(3)26)10-18(17)30-21/h4-10,12H,11H2,1-3H3,(H,22,26)(H2,23,24,25,27,29)