4-azanyl-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide Openeye Name: 4-amino-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-2-thioxo-thiazole-5-carboxamide CAS Name: 4-amino-3-[3-(4-morpholin-4-iumyl)propyl]-N-phenyl-2-sulfanylidene-5-thiazolecarboxamide IUPAC Name: 4-amino-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide Traditional Name: 4-amino-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-2-thioxo-4-thiazoline-5-carboxamide Formula: C17H23N4O2S2+ MolecularWeight: 379.52012

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=C(SC2=S)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=C(SC2=S)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C17H22N4O2S2/c18-15-14(16(22)19-13-5-2-1-3-6-13)25-17(24)21(15)8-4-7-20-9-11-23-12-10-20/h1-3,5-6H,4,7-12,18H2,(H,19,22)/p+1