N-(2-methoxy-4-nitro-phenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-[(2-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-(2-methylbenzyl)piperazine-1-carbothioamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O3S/c1-15-5-3-4-6-16(15)14-22-9-11-23(12-10-22)20(28)21-18-8-7-17(24(25)26)13-19(18)27-2/h3-8,13H,9-12,14H2,1-2H3,(H,21,28)