N-cyclooctyl-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H31N3OS/c24-19(20-17-8-4-2-1-3-5-9-17)22-12-7-11-21(13-14-22)16-18-10-6-15-23-18/h6,10,15,17H,1-5,7-9,11-14,16H2,(H,20,24)