2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3SCC(=O)NC4CC4

InChI

InChI=1S/C21H21N3O3S2/c1-2-27-14-9-10-16-18(11-14)29-21(23-16)24-20(26)15-5-3-4-6-17(15)28-12-19(25)22-13-7-8-13/h3-6,9-11,13H,2,7-8,12H2,1H3,(H,22,25)(H,23,24,26)