1-butyl-3-(4-methylphenyl)sulfonyl-urea; 1-carbamimidoyl-1-phenethyl-guanidine

Systemtic Name: 1-butyl-3-(4-methylphenyl)sulfonyl-urea; 1-carbamimidoyl-1-phenethyl-guanidine Openeye Name: 1-butyl-3-(p-tolylsulfonyl)urea; 1-carbamimidoyl-1-phenethyl-guanidine CAS Name: 1-butyl-3-(4-methylphenyl)sulfonylurea; 1-carbamimidoyl-1-phenethylguanidine IUPAC Name: 1-butyl-3-(4-methylphenyl)sulfonylurea; 1-carbamimidoyl-1-phenethylguanidine Traditional Name: 1-amidino-1-phenethyl-guanidine; 1-butyl-3-tosyl-urea Formula: C22H33N7O3S MolecularWeight: 475.60752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=C(C=C1)CCN(C(=N)N)C(=N)N

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C.C1=CC=C(C=C1)CCN(C(=N)N)C(=N)N

InChI

InChI=1S/C12H18N2O3S.C10H15N5/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;11-9(12)15(10(13)14)7-6-8-4-2-1-3-5-8/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);1-5H,6-7H2,(H3,11,12)(H3,13,14)