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

Systemtic Name: N-(4-propan-2-ylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-isopropylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-(4-propan-2-ylphenyl)-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-propan-2-ylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-p-cumenyl-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C19H25N5S MolecularWeight: 355.5003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5S/c1-15(2)16-5-7-17(8-6-16)22-19(25)24-12-4-11-23(13-14-24)18-20-9-3-10-21-18/h3,5-10,15H,4,11-14H2,1-2H3,(H,22,25)