4-tert-butyl-N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 4-tert-butyl-N-[(Z)-3-(4-methyl-1-piperazin-4-iumyl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(Z)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(Z)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(2-thienyl)vinyl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CS2)/C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)18-9-7-17(8-10-18)21(27)24-20(16-19-6-5-15-29-19)22(28)26-13-11-25(4)12-14-26/h5-10,15-16H,11-14H2,1-4H3,(H,24,27)/p+1/b20-16-