N-[3-cyano-6-[methyl-(phenylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide

Systemtic Name: N-[3-cyano-6-[methyl-(phenylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[6-[benzyl(methyl)amino]-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[3-cyano-6-[methyl-(phenylmethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[6-[benzyl(methyl)amino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[6-[benzyl(methyl)amino]-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butyramide Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N(C)CC3=CC=CC=C3)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)N(C)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H29N3OS/c1-4-17(5-2)22(27)25-23-20(14-24)19-12-11-18(13-21(19)28-23)26(3)15-16-9-7-6-8-10-16/h6-10,17-18H,4-5,11-13,15H2,1-3H3,(H,25,27)