S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] heptanethioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] heptanethioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] heptanethioate CAS Name: heptanethioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] heptanethioate Traditional Name: heptanethioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

Isomeric SMILES

CCCCCCC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

InChI

InChI=1S/C17H24N2O3S/c1-2-3-4-5-10-16(21)23-14-9-7-6-8-13(14)17(22)19-12-11-15(18)20/h6-9H,2-5,10-12H2,1H3,(H2,18,20)(H,19,22)