N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-(phenylthio)butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-(phenylthio)butyramide Formula: C25H24N2OS3 MolecularWeight: 464.66586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCSC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2OS3/c28-22(15-8-16-29-17-9-2-1-3-10-17)27-25-23(18-11-4-6-13-20(18)30-25)24-26-19-12-5-7-14-21(19)31-24/h1-3,5,7,9-10,12,14H,4,6,8,11,13,15-16H2,(H,27,28)