N-(2,6-diethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-o-phenetyl-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(CC2)C3=CC=CC=C3OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C3=CC=CC=C3OCC

InChI

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