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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylthio)propanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(phenylthio)propionamide Formula: C24H22N2OS3 MolecularWeight: 450.63928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N2OS3/c27-21(14-15-28-16-8-2-1-3-9-16)26-24-22(17-10-4-6-12-19(17)29-24)23-25-18-11-5-7-13-20(18)30-23/h1-3,5,7-9,11,13H,4,6,10,12,14-15H2,(H,26,27)