N-(4-butan-2-ylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-methoxyphenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-methoxyphenyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-4-17(2)18-8-10-19(11-9-18)23-22(27)25-14-12-24(13-15-25)20-6-5-7-21(16-20)26-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,23,27)