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

Systemtic Name: N-(2-ethoxyphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-o-phenetyl-1,4-diazepane-1-carbothioamide Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H25N3O2S/c1-2-23-18-9-4-3-8-17(18)20-19(25)22-11-6-10-21(12-13-22)15-16-7-5-14-24-16/h3-5,7-9,14H,2,6,10-13,15H2,1H3,(H,20,25)