(Z)-13-(pentylcarbamothioylamino)tridec-8-enoic acid

Systemtic Name: (Z)-13-(pentylcarbamothioylamino)tridec-8-enoic acid Openeye Name: (Z)-13-(pentylcarbamothioylamino)tridec-8-enoic acid CAS Name: (Z)-13-[[(pentylamino)-sulfanylidenemethyl]amino]-8-tridecenoic acid IUPAC Name: (Z)-13-(pentylcarbamothioylamino)tridec-8-enoic acid Traditional Name: (Z)-13-(amylthiocarbamoylamino)tridec-8-enoic acid Formula: C19H36N2O2S MolecularWeight: 356.56634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NCCCCC=CCCCCCCC(=O)O

Isomeric SMILES

CCCCCNC(=S)NCCCC/C=C\CCCCCCC(=O)O

InChI

InChI=1S/C19H36N2O2S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-