methyl N-cyano-N'-[(3S)-1-thiophen-2-ylpentan-3-yl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[(3S)-1-thiophen-2-ylpentan-3-yl]carbamimidothioate Openeye Name: 1-cyano-3-[(1S)-1-ethyl-3-(2-thienyl)propyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[(3S)-1-thiophen-2-ylpentan-3-yl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[(3S)-1-thiophen-2-ylpentan-3-yl]carbamimidothioate Traditional Name: 1-cyano-3-[(1S)-1-ethyl-3-(2-thienyl)propyl]-2-methyl-isothiourea Formula: C12H17N3S2 MolecularWeight: 267.41348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=CS1)N=C(NC#N)SC

Isomeric SMILES

CC[C@@H](CCC1=CC=CS1)N=C(NC#N)SC

InChI

InChI=1S/C12H17N3S2/c1-3-10(15-12(16-2)14-9-13)6-7-11-5-4-8-17-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,14,15)/t10-/m0/s1