4-[[(2S)-pentan-2-yl]amino]benzenecarbothioamide

Systemtic Name: 4-[[(2S)-pentan-2-yl]amino]benzenecarbothioamide Openeye Name: 4-[[(1S)-1-methylbutyl]amino]benzenecarbothioamide CAS Name: 4-[[(2S)-pentan-2-yl]amino]benzenecarbothioamide IUPAC Name: 4-[[(2S)-pentan-2-yl]amino]benzenecarbothioamide Traditional Name: 4-[[(1S)-1-methylbutyl]amino]thiobenzamide Formula: C12H18N2S MolecularWeight: 222.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=CC=C(C=C1)C(=S)N

Isomeric SMILES

CCC[C@H](C)NC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C12H18N2S/c1-3-4-9(2)14-11-7-5-10(6-8-11)12(13)15/h5-9,14H,3-4H2,1-2H3,(H2,13,15)/t9-/m0/s1