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

Systemtic Name: 4-(diphenylmethyl)-N-(4-methyl-2-oxidanylidene-chromen-7-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-methyl-2-oxo-chromen-7-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(4-methyl-2-oxochromen-7-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2-keto-4-methyl-chromen-7-yl)piperazin-4-ium-1-carbothioamide Formula: C28H28N3O2S+ MolecularWeight: 470.60582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c1-20-18-26(32)33-25-19-23(12-13-24(20)25)29-28(34)31-16-14-30(15-17-31)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,27H,14-17H2,1H3,(H,29,34)/p+1