N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Openeye Name: N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide CAS Name: N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide IUPAC Name: N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Traditional Name: N-[5-(1H-imidazol-5-ylmethyl)-2-(1-phenylethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Formula: C27H33N5OS MolecularWeight: 475.64882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(C3=C(S2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(C3=C(S2)C=CC(=C3)NC(=O)C4CCCCC4)CC5=CN=CN5

InChI

InChI=1S/C27H33N5OS/c1-20(21-8-4-2-5-9-21)32-15-14-31(18-24-17-28-19-29-24)25-16-23(12-13-26(25)34-32)30-27(33)22-10-6-3-7-11-22/h2,4-5,8-9,12-13,16-17,19-20,22H,3,6-7,10-11,14-15,18H2,1H3,(H,28,29)(H,30,33)