4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide CAS Name: 4-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzamide Traditional Name: 4-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]benzamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H17N3O2S2/c19-17(23)12-7-9-13(10-8-12)20-16(22)6-3-11-24-18-21-14-4-1-2-5-15(14)25-18/h1-2,4-5,7-10H,3,6,11H2,(H2,19,23)(H,20,22)