2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N3O2S3 MolecularWeight: 431.59464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)C(=O)N

InChI

InChI=1S/C20H21N3O2S3/c21-18(25)17-12-6-1-3-8-14(12)27-19(17)23-16(24)10-5-11-26-20-22-13-7-2-4-9-15(13)28-20/h2,4,7,9H,1,3,5-6,8,10-11H2,(H2,21,25)(H,23,24)