2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-5-phenyl-thiophene-3-carboxamide Formula: C22H19N3O2S3 MolecularWeight: 453.60016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C22H19N3O2S3/c23-20(27)15-13-18(14-7-2-1-3-8-14)29-21(15)25-19(26)11-6-12-28-22-24-16-9-4-5-10-17(16)30-22/h1-5,7-10,13H,6,11-12H2,(H2,23,27)(H,25,26)