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

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CC

InChI

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