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

Systemtic Name: N-pyridin-3-yl-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-pyridyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-pyridinyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-pyridin-3-yl-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-pyridyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C16H20N4S2 MolecularWeight: 332.4868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CN=CC=C2)CC3=CSC=C3

InChI

InChI=1S/C16H20N4S2/c21-16(18-15-3-1-5-17-11-15)20-7-2-6-19(8-9-20)12-14-4-10-22-13-14/h1,3-5,10-11,13H,2,6-9,12H2,(H,18,21)