O-[3-[(tert-butylamino)-(2-methylphenyl)carbonyl-carbamoyl]pyridin-2-yl] methanethioate

Systemtic Name: O-[3-[(tert-butylamino)-(2-methylphenyl)carbonyl-carbamoyl]pyridin-2-yl] methanethioate Openeye Name: O-[3-[(tert-butylamino)-(2-methylbenzoyl)carbamoyl]-2-pyridyl] methanethioate CAS Name: methanethioic acid O-[3-[[(tert-butylamino)-[(2-methylphenyl)-oxomethyl]amino]-oxomethyl]-2-pyridinyl] ester IUPAC Name: O-[3-[(tert-butylamino)-(2-methylbenzoyl)carbamoyl]pyridin-2-yl] methanethioate Traditional Name: methanethioic acid O-[3-[(tert-butylamino)-o-toluoyl-carbamoyl]-2-pyridyl] ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(C(=O)C2=C(N=CC=C2)OC=S)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(C(=O)C2=C(N=CC=C2)OC=S)NC(C)(C)C

InChI

InChI=1S/C19H21N3O3S/c1-13-8-5-6-9-14(13)17(23)22(21-19(2,3)4)18(24)15-10-7-11-20-16(15)25-12-26/h5-12,21H,1-4H3