7-hexyl-3-methyl-5-(2-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one

Systemtic Name: 7-hexyl-3-methyl-5-(2-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one Openeye Name: 7-hexyl-3-methyl-5-(o-tolyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one CAS Name: 7-hexyl-3-methyl-5-(2-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one IUPAC Name: 7-hexyl-3-methyl-5-(2-methylphenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one Traditional Name: 7-hexyl-3-methyl-5-(o-tolyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one Formula: C21H26N2OS MolecularWeight: 354.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(NC(C(=O)N=C2S1)C)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCC1=CC2=C(NC(C(=O)N=C2S1)C)C3=CC=CC=C3C

InChI

InChI=1S/C21H26N2OS/c1-4-5-6-7-11-16-13-18-19(17-12-9-8-10-14(17)2)22-15(3)20(24)23-21(18)25-16/h8-10,12-13,15,22H,4-7,11H2,1-3H3