S-[3-[(5-aminocarbonylpyridin-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[3-[(5-aminocarbonylpyridin-2-yl)amino]-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-[2-benzyl-3-[(5-carbamoyl-2-pyridyl)amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[(5-carbamoyl-2-pyridinyl)amino]-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-[2-benzyl-3-[(5-carbamoylpyridin-2-yl)amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-benzyl-3-[(5-carbamoyl-2-pyridyl)amino]-3-keto-propyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H21N3O3S/c24-21(27)18-11-12-20(25-14-18)26-22(28)19(13-16-7-3-1-4-8-16)15-30-23(29)17-9-5-2-6-10-17/h1-12,14,19H,13,15H2,(H2,24,27)(H,25,26,28)