S-phenylazanyl N-[[(Z)-(1,6-dimethyl-3-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate

Systemtic Name: S-phenylazanyl N-[[(Z)-(1,6-dimethyl-3-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate Openeye Name: S-anilino N-[[(Z)-(1,6-dimethyl-3-oxo-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate CAS Name: N-[[(Z)-(1,6-dimethyl-3-oxo-2-pyridin-1-iumylidene)methyl]amino]carbamothioic acid S-anilino ester IUPAC Name: S-anilino N-[[(Z)-(1,6-dimethyl-3-oxopyridin-1-ium-2-ylidene)methyl]amino]carbamothioate Traditional Name: N-[[(Z)-(3-keto-1,6-dimethyl-pyridin-1-ium-2-ylidene)methyl]amino]thiocarbamic acid S-anilino ester Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CNNC(=O)SNC2=CC=CC=C2)C(=O)C=C1)C

Isomeric SMILES

CC1=[N+](/C(=C\NNC(=O)SNC2=CC=CC=C2)/C(=O)C=C1)C

InChI

InChI=1S/C15H16N4O2S/c1-11-8-9-14(20)13(19(11)2)10-16-17-15(21)22-18-12-6-4-3-5-7-12/h3-10,18,20H,1-2H3/p+1/b13-10-