N-[3-(phenylmethyl)-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide

Systemtic Name: N-[3-(phenylmethyl)-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Openeye Name: N-(3-benzyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl)cyclohexanecarboxamide CAS Name: N-[3-(phenylmethyl)-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide IUPAC Name: N-(3-benzyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl)cyclohexanecarboxamide Traditional Name: N-(3-benzyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-7-yl)cyclohexanecarboxamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SNC(CN3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SNC(CN3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3OS/c26-22(17-9-5-2-6-10-17)24-18-11-12-21-20(14-18)23-15-19(25-27-21)13-16-7-3-1-4-8-16/h1,3-4,7-8,11-12,14,17,19,23,25H,2,5-6,9-10,13,15H2,(H,24,26)