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

Systemtic Name: N-[2-[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxidanylidene-hexan-3-yl]carbamoyl]cyclohexyl]benzamide Openeye Name: N-[2-[[1-[2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]-3-methyl-butyl]carbamoyl]cyclohexyl]benzamide CAS Name: N-[2-[[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxohexan-3-yl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: N-[2-[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxohexan-3-yl]carbamoyl]cyclohexyl]benzamide Traditional Name: N-[2-[[1-[2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]-3-methyl-butyl]carbamoyl]cyclohexyl]benzamide Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)CN1CCSC2=CC=CC=C2C1)NC(=O)C3CCCCC3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)CN1CCSC2=CC=CC=C2C1)NC(=O)C3CCCCC3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H39N3O3S/c1-21(2)18-26(27(34)20-33-16-17-37-28-15-9-6-12-23(28)19-33)32-30(36)24-13-7-8-14-25(24)31-29(35)22-10-4-3-5-11-22/h3-6,9-12,15,21,24-26H,7-8,13-14,16-20H2,1-2H3,(H,31,35)(H,32,36)