methyl N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-thienylsulfonyl)isothiourea CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-thienylsulfonyl)isothiourea Formula: C20H17N3O2S4 MolecularWeight: 459.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=NS(=O)(=O)C4=CC=CS4)SC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/C(=N/S(=O)(=O)C4=CC=CS4)/SC

InChI

InChI=1S/C20H17N3O2S4/c1-13-5-10-16-17(12-13)28-19(22-16)14-6-8-15(9-7-14)21-20(26-2)23-29(24,25)18-4-3-11-27-18/h3-12H,1-2H3,(H,21,23)