N-(2,4-dimethylphenyl)-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,4-dimethylphenyl)-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2,4-dimethylphenyl)-4-(5-propyl-2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,4-dimethylphenyl)-4-(5-propylpyrimidin-2-yl)-1,4-diazepane-1-carbothioamide Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H29N5S/c1-4-6-18-14-22-20(23-15-18)25-9-5-10-26(12-11-25)21(27)24-19-8-7-16(2)13-17(19)3/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,24,27)