O-[(5S)-5-azanylheptan-3-yl] 4-azanylbenzenecarbothioate

Systemtic Name: O-[(5S)-5-azanylheptan-3-yl] 4-azanylbenzenecarbothioate Openeye Name: O-[(3S)-3-amino-1-ethyl-pentyl] 4-aminobenzenecarbothioate CAS Name: 4-aminobenzenecarbothioic acid O-[(5S)-5-aminoheptan-3-yl] ester IUPAC Name: O-[(5S)-5-aminoheptan-3-yl] 4-aminobenzenecarbothioate Traditional Name: 4-aminothiobenzoic acid O-[(3S)-3-amino-1-ethyl-pentyl] ester Formula: C14H22N2OS MolecularWeight: 266.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)OC(=S)C1=CC=C(C=C1)N)N

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-3-11(15)9-13(4-2)17-14(18)10-5-7-12(16)8-6-10/h5-8,11,13H,3-4,9,15-16H2,1-2H3/t11-,13?/m0/s1