N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-4-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-4-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-15-22(27)28-21-16-19(7-8-20(17)21)24-23(29)26-13-11-25(12-14-26)10-9-18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3,(H,24,29)/p+1