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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-benzylsulfonyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-benzylsulfonylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-benzylsulfonyl-propionamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N2O3S3/c28-22(14-15-33(29,30)16-17-8-2-1-3-9-17)27-25-23(18-10-4-6-12-20(18)31-25)24-26-19-11-5-7-13-21(19)32-24/h1-3,5,7-9,11,13H,4,6,10,12,14-16H2,(H,27,28)