5-[5-[methyl(prop-2-enyl)amino]pentyl]-2,3-dihydro-1H-indole-2-carbothioic S-acid

Systemtic Name: 5-[5-[methyl(prop-2-enyl)amino]pentyl]-2,3-dihydro-1H-indole-2-carbothioic S-acid Openeye Name: 5-[5-[allyl(methyl)amino]pentyl]indoline-2-carbothioic S-acid CAS Name: 5-[5-[methyl(prop-2-enyl)amino]pentyl]-2,3-dihydro-1H-indole-2-carbothioic S-acid IUPAC Name: 5-[5-[methyl(prop-2-enyl)amino]pentyl]-2,3-dihydro-1H-indole-2-carbothioic S-acid Traditional Name: 5-[5-[allyl(methyl)amino]pentyl]indoline-2-carbothioic S-acid Formula: C18H26N2OS MolecularWeight: 318.47684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC2=C(C=C1)NC(C2)C(=O)S)CC=C

Isomeric SMILES

CN(CCCCCC1=CC2=C(C=C1)NC(C2)C(=O)S)CC=C

InChI

InChI=1S/C18H26N2OS/c1-3-10-20(2)11-6-4-5-7-14-8-9-16-15(12-14)13-17(19-16)18(21)22/h3,8-9,12,17,19H,1,4-7,10-11,13H2,2H3,(H,21,22)