N-[1-[[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-[1-[[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-[1-[[3-methyl-1-[2-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]butyl]carbamoyl]cyclohexyl]benzamide CAS Name: N-[1-[[[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-[1-[[5-methyl-1-(8-methyl-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxohexan-3-yl]carbamoyl]cyclohexyl]benzamide Traditional Name: N-[1-[[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)C3(CCCCC3)NC(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CC2=C(CN(CCS2)CC(=O)C(CC(C)C)NC(=O)C3(CCCCC3)NC(=O)C4=CC=CC=C4)C=C1

InChI

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