N-(3-ethylphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C19H25N3OS MolecularWeight: 343.4863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H25N3OS/c1-2-16-6-3-7-17(14-16)20-19(24)22-10-5-9-21(11-12-22)15-18-8-4-13-23-18/h3-4,6-8,13-14H,2,5,9-12,15H2,1H3,(H,20,24)