methyl N-(4-isothiocyanatophenyl)sulfonyl-N'-phenethyl-carbamimidothioate

Systemtic Name: methyl N-(4-isothiocyanatophenyl)sulfonyl-N'-phenethyl-carbamimidothioate Openeye Name: 1-(4-isothiocyanatophenyl)sulfonyl-2-methyl-3-phenethyl-isothiourea CAS Name: N-(4-isothiocyanatophenyl)sulfonyl-N'-phenethylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-isothiocyanatophenyl)sulfonyl-N'-phenethylcarbamimidothioate Traditional Name: 1-(4-isothiocyanatophenyl)sulfonyl-2-methyl-3-phenethyl-isothiourea Formula: C17H17N3O2S3 MolecularWeight: 391.53078

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

CSC(=NCCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C17H17N3O2S3/c1-24-17(18-12-11-14-5-3-2-4-6-14)20-25(21,22)16-9-7-15(8-10-16)19-13-23/h2-10H,11-12H2,1H3,(H,18,20)