3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine

Systemtic Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Openeye Name: 3-(1-methylpentyl)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine CAS Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine IUPAC Name: 3-hexan-2-yl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Traditional Name: 3-(1-methylpentyl)-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepine Formula: C21H27NS MolecularWeight: 325.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CSC2=CC=CC=C2C(N1)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C)C1CSC2=CC=CC=C2C(N1)C3=CC=CC=C3

InChI

InChI=1S/C21H27NS/c1-3-4-10-16(2)19-15-23-20-14-9-8-13-18(20)21(22-19)17-11-6-5-7-12-17/h5-9,11-14,16,19,21-22H,3-4,10,15H2,1-2H3