1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)hexan-2-one

Systemtic Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)hexan-2-one Openeye Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)hexan-2-one CAS Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)-2-hexanone IUPAC Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)hexan-2-one Traditional Name: 1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-3-(phenacylamino)hexan-2-one Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CN1CCSC2=CC=CC=C2C1)NCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)CN1CCSC2=CC=CC=C2C1)NCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2S/c1-18(2)14-21(25-15-22(27)19-8-4-3-5-9-19)23(28)17-26-12-13-29-24-11-7-6-10-20(24)16-26/h3-11,18,21,25H,12-17H2,1-2H3