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

Systemtic Name: N-(2,6-diethylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3OS/c1-4-17-9-8-10-18(5-2)21(17)23-22(27)25-15-13-24(14-16-25)19-11-6-7-12-20(19)26-3/h6-12H,4-5,13-16H2,1-3H3,(H,23,27)