N-[2-[[5-methyl-1-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-hexan-3-yl]carbamoyl]cyclohexyl]benzamide

Systemtic Name: N-[2-[[5-methyl-1-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-hexan-3-yl]carbamoyl]cyclohexyl]benzamide Openeye Name: N-[2-[[3-methyl-1-[2-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]butyl]carbamoyl]cyclohexyl]benzamide CAS Name: N-[2-[[[5-methyl-1-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxohexan-3-yl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: N-[2-[[5-methyl-1-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxohexan-3-yl]carbamoyl]cyclohexyl]benzamide Traditional Name: N-[2-[[3-methyl-1-[2-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]butyl]carbamoyl]cyclohexyl]benzamide Formula: C31H41N3O3S MolecularWeight: 535.74054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CN(CCS2)CC(=O)C(CC(C)C)NC(=O)C3CCCCC3NC(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CC2=C(CN(CCS2)CC(=O)C(CC(C)C)NC(=O)C3CCCCC3NC(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C31H41N3O3S/c1-21(2)17-27(28(35)20-34-15-16-38-29-18-22(3)13-14-24(29)19-34)33-31(37)25-11-7-8-12-26(25)32-30(36)23-9-5-4-6-10-23/h4-6,9-10,13-14,18,21,25-27H,7-8,11-12,15-17,19-20H2,1-3H3,(H,32,36)(H,33,37)