1-[(4-tert-butylphenyl)methyl]-3-[[1-methyl-4-(methylsulfonylamino)pyrrol-2-yl]methyl]thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-[[1-methyl-4-(methylsulfonylamino)pyrrol-2-yl]methyl]thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-1-methyl-pyrrol-2-yl]methyl]thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-1-methyl-2-pyrrolyl]methyl]thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-[[4-(methanesulfonamido)-1-methylpyrrol-2-yl]methyl]thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-[[4-(methanesulfonamido)-1-methyl-pyrrol-2-yl]methyl]thiourea Formula: C19H28N4O2S2 MolecularWeight: 408.58122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=CN2C)NS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=CN2C)NS(=O)(=O)C

InChI

InChI=1S/C19H28N4O2S2/c1-19(2,3)15-8-6-14(7-9-15)11-20-18(26)21-12-17-10-16(13-23(17)4)22-27(5,24)25/h6-10,13,22H,11-12H2,1-5H3,(H2,20,21,26)