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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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