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

Systemtic Name: N-[6-[(2-chlorophenyl)methylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethyl-butanamide Openeye Name: N-[6-[(2-chlorophenyl)methylamino]-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butanamide CAS Name: N-[6-[(2-chlorophenyl)methylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide IUPAC Name: N-[6-[(2-chlorophenyl)methylamino]-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide Traditional Name: N-[6-[(2-chlorobenzyl)amino]-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-ethyl-butyramide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)NCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)NCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C22H26ClN3OS/c1-3-14(4-2)21(27)26-22-18(12-24)17-10-9-16(11-20(17)28-22)25-13-15-7-5-6-8-19(15)23/h5-8,14,16,25H,3-4,9-11,13H2,1-2H3,(H,26,27)