methyl N'-acridin-9-yl-N-cyclohexyl-N-ethyl-carbamimidothioate

Systemtic Name: methyl N'-acridin-9-yl-N-cyclohexyl-N-ethyl-carbamimidothioate Openeye Name: 3-acridin-9-yl-1-cyclohexyl-1-ethyl-2-methyl-isothiourea CAS Name: N'-(9-acridinyl)-N-cyclohexyl-N-ethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-acridin-9-yl-N-cyclohexyl-N-ethylcarbamimidothioate Traditional Name: 3-acridin-9-yl-1-cyclohexyl-1-ethyl-2-methyl-isothiourea Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC

Isomeric SMILES

CCN(C1CCCCC1)C(=NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC

InChI

InChI=1S/C23H27N3S/c1-3-26(17-11-5-4-6-12-17)23(27-2)25-22-18-13-7-9-15-20(18)24-21-16-10-8-14-19(21)22/h7-10,13-17H,3-6,11-12H2,1-2H3