N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3OS/c1-5-18-8-7-9-19(6-2)22(18)24-23(28)25-14-15-26(17(3)16-25)20-10-12-21(27-4)13-11-20/h7-13,17H,5-6,14-16H2,1-4H3,(H,24,28)