N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H30N4S MolecularWeight: 358.544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H30N4S/c25-20(22-12-9-18-5-2-1-3-6-18)24-14-4-13-23(15-16-24)17-19-7-10-21-11-8-19/h5,7-8,10-11H,1-4,6,9,12-17H2,(H,22,25)