ethyl 4-[4-azanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-(4-methylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(4-methylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C18H23N4O3S2+ MolecularWeight: 407.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CC[NH+](CC3)C)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CC[NH+](CC3)C)N

InChI

InChI=1S/C18H22N4O3S2/c1-3-25-17(24)12-4-6-13(7-5-12)22-15(19)14(27-18(22)26)16(23)21-10-8-20(2)9-11-21/h4-7H,3,8-11,19H2,1-2H3/p+1