N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: 3-ethoxy-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-ethoxy-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC

InChI

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