3-azanyl-1-(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide

Systemtic Name: 3-azanyl-1-(4-methoxyphenyl)-4-oxidanylidene-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-4-keto-1-(4-methoxyphenyl)-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C23H27N6O3S2+ MolecularWeight: 499.62888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[N+](=O)C(C2C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[N+](=O)C(C2C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6O3S2/c1-32-18-11-9-17(10-12-18)28-14-15-29(31)23(24,13-5-8-16-6-3-2-4-7-16)19(28)20(30)25-21-26-27-22(33)34-21/h2-4,6-7,9-12,19H,5,8,13-15,24H2,1H3,(H-,25,26,27,30,33)/p+1