N-(2-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-chlorophenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C16H18ClN5S MolecularWeight: 347.86562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2Cl)C3=NC=CC=N3

InChI

InChI=1S/C16H18ClN5S/c17-13-5-1-2-6-14(13)20-16(23)22-10-4-9-21(11-12-22)15-18-7-3-8-19-15/h1-3,5-8H,4,9-12H2,(H,20,23)