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

Systemtic Name: N-[1-[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxidanylidene-hexan-3-yl]carbamoyl]cyclohexyl]benzamide Openeye Name: N-[1-[[1-[2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)acetyl]-3-methyl-butyl]carbamoyl]cyclohexyl]benzamide CAS Name: N-[1-[[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxohexan-3-yl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: N-[1-[[1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-5-methyl-2-oxohexan-3-yl]carbamoyl]cyclohexyl]benzamide Traditional Name: N-[1-[[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)C3(CCCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C(=O)CN1CCSC2=CC=CC=C2C1)NC(=O)C3(CCCCC3)NC(=O)C4=CC=CC=C4

InChI

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