N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carbothioamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2S/c1-17-4-5-18(2)21(16-17)23-22(28)25-12-10-24(11-13-25)14-15-27-20-8-6-19(26-3)7-9-20/h4-9,16H,10-15H2,1-3H3,(H,23,28)