N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(3-cyanophenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H22N4OS/c1-15-14-23(20(26)22-17-5-3-4-16(12-17)13-21)10-11-24(15)18-6-8-19(25-2)9-7-18/h3-9,12,15H,10-11,14H2,1-2H3,(H,22,26)