2-[2-[bis(phenylmethyl)amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(dibenzylamino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[bis(phenylmethyl)amino]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(dibenzylamino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(dibenzylamino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O2S/c1-18-12-13-21-22(14-18)32-26(24(21)25(27)31)28-23(30)17-29(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H2,27,31)(H,28,30)