O-[3-[(tert-butylamino)-(3,4-dichlorophenyl)carbonyl-carbamoyl]pyridin-2-yl] methanethioate

Systemtic Name: O-[3-[(tert-butylamino)-(3,4-dichlorophenyl)carbonyl-carbamoyl]pyridin-2-yl] methanethioate Openeye Name: O-[3-[(tert-butylamino)-(3,4-dichlorobenzoyl)carbamoyl]-2-pyridyl] methanethioate CAS Name: methanethioic acid O-[3-[[(tert-butylamino)-[(3,4-dichlorophenyl)-oxomethyl]amino]-oxomethyl]-2-pyridinyl] ester IUPAC Name: O-[3-[(tert-butylamino)-(3,4-dichlorobenzoyl)carbamoyl]pyridin-2-yl] methanethioate Traditional Name: methanethioic acid O-[3-[(tert-butylamino)-(3,4-dichlorobenzoyl)carbamoyl]-2-pyridyl] ester Formula: C18H17Cl2N3O3S MolecularWeight: 426.31688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NN(C(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(N=CC=C2)OC=S

Isomeric SMILES

CC(C)(C)NN(C(=O)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(N=CC=C2)OC=S

InChI

InChI=1S/C18H17Cl2N3O3S/c1-18(2,3)22-23(16(24)11-6-7-13(19)14(20)9-11)17(25)12-5-4-8-21-15(12)26-10-27/h4-10,22H,1-3H3