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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C19H29N3OS MolecularWeight: 347.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H29N3OS/c24-19(20-10-9-17-6-2-1-3-7-17)22-12-5-11-21(13-14-22)16-18-8-4-15-23-18/h4,6,8,15H,1-3,5,7,9-14,16H2,(H,20,24)