N-[C-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carbothioamide

Systemtic Name: N-[C-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carbothioamide Openeye Name: N-[N-[(4-nitrophenyl)methyl]-C-(p-tolyl)carbonimidoyl]morpholine-4-carbothioamide CAS Name: N-[(4-methylphenyl)-[(4-nitrophenyl)methylimino]methyl]-4-morpholinecarbothioamide IUPAC Name: N-[C-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]carbonimidoyl]morpholine-4-carbothioamide Traditional Name: N-[N-(4-nitrobenzyl)-C-(p-tolyl)carbonimidoyl]morpholine-4-carbothioamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=NCC2=CC=C(C=C2)[N+](=O)[O-])NC(=S)N3CCOCC3

InChI

InChI=1S/C20H22N4O3S/c1-15-2-6-17(7-3-15)19(22-20(28)23-10-12-27-13-11-23)21-14-16-4-8-18(9-5-16)24(25)26/h2-9H,10-14H2,1H3,(H,21,22,28)