1-[4-[5-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-[4-[5-methyl-1-(phenylsulfonyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(phenylmethyl)guanidine Openeye Name: 1-[4-[1-(benzenesulfonyl)-5-methyl-pyrrol-3-yl]thiazol-2-yl]-2-benzyl-guanidine CAS Name: 1-[4-[1-(benzenesulfonyl)-5-methyl-3-pyrrolyl]-2-thiazolyl]-2-(phenylmethyl)guanidine IUPAC Name: 1-[4-[1-(benzenesulfonyl)-5-methylpyrrol-3-yl]-1,3-thiazol-2-yl]-2-benzylguanidine Traditional Name: 2-benzyl-1-[4-(1-besyl-5-methyl-pyrrol-3-yl)thiazol-2-yl]guanidine Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)C3=CSC(=N3)NC(=NCC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)C3=CSC(=N3)NC(=NCC4=CC=CC=C4)N

InChI

InChI=1S/C22H21N5O2S2/c1-16-12-18(14-27(16)31(28,29)19-10-6-3-7-11-19)20-15-30-22(25-20)26-21(23)24-13-17-8-4-2-5-9-17/h2-12,14-15H,13H2,1H3,(H3,23,24,25,26)