N-(4-methylsulfanylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C)C

InChI

InChI=1S/C20H27N5OS/c1-14-15(2)21-16(3)22-19(14)24-10-5-11-25(13-12-24)20(26)23-17-6-8-18(27-4)9-7-17/h6-9H,5,10-13H2,1-4H3,(H,23,26)