3-[butyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(8-chloranyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-[butyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(8-chloranyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[butyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[butyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[butyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-[butyl(homoveratryl)amino]-1-(8-chloro-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C26H35ClN2O3S MolecularWeight: 491.0857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)N2CCCSC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCCCN(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)N2CCCSC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C26H35ClN2O3S/c1-4-5-13-28(15-11-20-7-10-23(31-2)24(18-20)32-3)16-12-26(30)29-14-6-17-33-25-19-21(27)8-9-22(25)29/h7-10,18-19H,4-6,11-17H2,1-3H3