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

Systemtic Name: 4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide Openeye Name: 4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-N-thiazol-2-yl-benzamide CAS Name: 4-[[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]methyl]-N-(2-thiazolyl)benzamide IUPAC Name: 4-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanylmethyl]-N-(1,3-thiazol-2-yl)benzamide Traditional Name: 4-[[(6-propionamido-1,3-benzothiazol-2-yl)thio]methyl]-N-thiazol-2-yl-benzamide Formula: C21H18N4O2S3 MolecularWeight: 454.58822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=NC=CS4

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC3=CC=C(C=C3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C21H18N4O2S3/c1-2-18(26)23-15-7-8-16-17(11-15)30-21(24-16)29-12-13-3-5-14(6-4-13)19(27)25-20-22-9-10-28-20/h3-11H,2,12H2,1H3,(H,23,26)(H,22,25,27)