sodium 2-[(2-chloranyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoate

Systemtic Name: sodium 2-[(2-chloranyl-6-methyl-phenyl)-methanethioyl-amino]-3-phenyl-propanoate Openeye Name: sodium 2-(2-chloro-N-methanethioyl-6-methyl-anilino)-3-phenyl-propanoate CAS Name: sodium 2-(2-chloro-N-methanethioyl-6-methylanilino)-3-phenylpropanoate IUPAC Name: sodium 2-(2-chloro-N-methanethioyl-6-methylanilino)-3-phenylpropanoate Traditional Name: sodium 2-(2-chloro-6-methyl-N-thioformyl-anilino)-3-phenyl-propionate Formula: C17H15ClNNaO2S MolecularWeight: 355.81427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)N(C=S)C(CC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)N(C=S)C(CC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H16ClNO2S.Na/c1-12-6-5-9-14(18)16(12)19(11-22)15(17(20)21)10-13-7-3-2-4-8-13;/h2-9,11,15H,10H2,1H3,(H,20,21);/q;+1/p-1