S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 4-acetamidobenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 4-acetamidobenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 4-acetamidobenzenecarbothioate CAS Name: 4-acetamidobenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 4-acetamidobenzenecarbothioate Traditional Name: 4-acetamidothiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

InChI

InChI=1S/C19H19N3O4S/c1-12(23)22-14-8-6-13(7-9-14)19(26)27-16-5-3-2-4-15(16)18(25)21-11-10-17(20)24/h2-9H,10-11H2,1H3,(H2,20,24)(H,21,25)(H,22,23)