N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-phenylthiazol-2-yl)piperazine-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-(4-phenyl-2-thiazolyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(4-phenylthiazol-2-yl)piperazine-1-carbothioamide Formula: C21H30N5OS2+ MolecularWeight: 432.6258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5OS2/c28-20(22-7-4-8-24-13-15-27-16-14-24)25-9-11-26(12-10-25)21-23-19(17-29-21)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2,(H,22,28)/p+1