(4-cyclohexyl-1,4-diazepan-1-yl)-[6-(thiolan-3-ylamino)pyridin-3-yl]methanone

Systemtic Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(thiolan-3-ylamino)pyridin-3-yl]methanone Openeye Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(tetrahydrothiophen-3-ylamino)-3-pyridyl]methanone CAS Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(3-thiolanylamino)-3-pyridinyl]methanone IUPAC Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(thiolan-3-ylamino)pyridin-3-yl]methanone Traditional Name: (4-cyclohexyl-1,4-diazepan-1-yl)-[6-(tetrahydrothiophen-3-ylamino)-3-pyridyl]methanone Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)NC4CCSC4

Isomeric SMILES

C1CCC(CC1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)NC4CCSC4

InChI

InChI=1S/C21H32N4OS/c26-21(17-7-8-20(22-15-17)23-18-9-14-27-16-18)25-11-4-10-24(12-13-25)19-5-2-1-3-6-19/h7-8,15,18-19H,1-6,9-14,16H2,(H,22,23)