(2S)-4-methyl-N-[(3S)-2-oxidanyloxolan-3-yl]-2-(phenylcarbamothioylamino)heptanamide

Systemtic Name: (2S)-4-methyl-N-[(3S)-2-oxidanyloxolan-3-yl]-2-(phenylcarbamothioylamino)heptanamide Openeye Name: (2S)-N-[(3S)-2-hydroxytetrahydrofuran-3-yl]-4-methyl-2-(phenylcarbamothioylamino)heptanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-N-[(3S)-2-hydroxy-3-oxolanyl]-4-methylheptanamide IUPAC Name: (2S)-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-(phenylcarbamothioylamino)heptanamide Traditional Name: (2S)-N-[(3S)-2-hydroxytetrahydrofuran-3-yl]-4-methyl-2-(phenylthiocarbamoylamino)enanthamide Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C(=O)NC1CCOC1O)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCC(C)C[C@@H](C(=O)N[C@H]1CCOC1O)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O3S/c1-3-7-13(2)12-16(17(23)21-15-10-11-25-18(15)24)22-19(26)20-14-8-5-4-6-9-14/h4-6,8-9,13,15-16,18,24H,3,7,10-12H2,1-2H3,(H,21,23)(H2,20,22,26)/t13?,15-,16-,18?/m0/s1