[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-carbamimidoylsulfanyl-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: carbamimidothioic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] carbamimidothioate Traditional Name: 2-(amidinothio)-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC(=N)N

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC(=N)N

InChI

InChI=1S/C13H19N3OS/c1-3-9(2)10-6-4-5-7-11(10)16-12(17)8-18-13(14)15/h4-7,9H,3,8H2,1-2H3,(H3,14,15)(H,16,17)/t9-/m0/s1