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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CCSC5=CC=CC=C5

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CCSC5=CC=CC=C5

InChI

InChI=1S/C25H24N2OS3/c1-16-11-12-18-21(15-16)31-25(23(18)24-26-19-9-5-6-10-20(19)30-24)27-22(28)13-14-29-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,27,28)/t16-/m0/s1