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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-propionamide Formula: C25H24N2OS2 MolecularWeight: 432.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C25H24N2OS2/c1-16-11-13-18-21(15-16)30-25(27-22(28)14-12-17-7-3-2-4-8-17)23(18)24-26-19-9-5-6-10-20(19)29-24/h2-10,16H,11-15H2,1H3,(H,27,28)