4-[[4-[(2-propylphenyl)carbamoyloxy]phenyl]methyl]piperazine-1-carbothioic S-acid

Systemtic Name: 4-[[4-[(2-propylphenyl)carbamoyloxy]phenyl]methyl]piperazine-1-carbothioic S-acid Openeye Name: 4-[[4-[(2-propylphenyl)carbamoyloxy]phenyl]methyl]piperazine-1-carbothioic S-acid CAS Name: 4-[[4-[oxo-(2-propylanilino)methoxy]phenyl]methyl]-1-piperazinecarbothioic S-acid IUPAC Name: 4-[[4-[(2-propylphenyl)carbamoyloxy]phenyl]methyl]piperazine-1-carbothioic S-acid Traditional Name: 4-[4-[(2-propylphenyl)carbamoyloxy]benzyl]piperazine-1-carbothioic S-acid Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1NC(=O)OC2=CC=C(C=C2)CN3CCN(CC3)C(=O)S

Isomeric SMILES

CCCC1=CC=CC=C1NC(=O)OC2=CC=C(C=C2)CN3CCN(CC3)C(=O)S

InChI

InChI=1S/C22H27N3O3S/c1-2-5-18-6-3-4-7-20(18)23-21(26)28-19-10-8-17(9-11-19)16-24-12-14-25(15-13-24)22(27)29/h3-4,6-11H,2,5,12-16H2,1H3,(H,23,26)(H,27,29)