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

Systemtic Name: N-(3-ethylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H26N4S MolecularWeight: 354.51224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H26N4S/c1-2-17-6-3-8-19(14-17)22-20(25)24-11-5-10-23(12-13-24)16-18-7-4-9-21-15-18/h3-4,6-9,14-15H,2,5,10-13,16H2,1H3,(H,22,25)