2-oxidanylbenzoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide

Systemtic Name: 2-oxidanylbenzoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide Openeye Name: 2-hydroxybenzoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide CAS Name: 2-hydroxybenzoic acid; (2S)-N-[(1R)-1-phenylethyl]-2-pyrrolidinecarbothioamide IUPAC Name: 2-hydroxybenzoic acid; (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide Traditional Name: (2S)-N-[(1R)-1-phenylethyl]pyrrolidine-2-carbothioamide; salicylic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)C2CCCN2.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=S)[C@@H]2CCCN2.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C13H18N2S.C7H6O3/c1-10(11-6-3-2-4-7-11)15-13(16)12-8-5-9-14-12;8-6-4-2-1-3-5(6)7(9)10/h2-4,6-7,10,12,14H,5,8-9H2,1H3,(H,15,16);1-4,8H,(H,9,10)/t10-,12+;/m1./s1