S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,6-bis(chloranyl)benzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,6-bis(chloranyl)benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2,6-dichlorobenzenecarbothioate CAS Name: 2,6-dichlorobenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2,6-dichlorobenzenecarbothioate Traditional Name: 2,6-dichlorothiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H14Cl2N2O3S MolecularWeight: 397.27566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC(=O)N)SC(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O3S/c18-11-5-3-6-12(19)15(11)17(24)25-13-7-2-1-4-10(13)16(23)21-9-8-14(20)22/h1-7H,8-9H2,(H2,20,22)(H,21,23)