4-(furan-2-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(furan-2-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=CC=CO3)C

InChI

InChI=1S/C20H27N3OS/c1-15-12-17(3)19(13-16(15)2)21-20(25)23-8-5-7-22(9-10-23)14-18-6-4-11-24-18/h4,6,11-13H,5,7-10,14H2,1-3H3,(H,21,25)