1-[2-(2-azanylcyclohexa-1,5-dien-1-yl)sulfonylphenyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-(2-azanylcyclohexa-1,5-dien-1-yl)sulfonylphenyl]-3-(phenylmethyl)urea Openeye Name: 1-[2-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylphenyl]-3-benzyl-urea CAS Name: 1-[2-[(2-amino-1-cyclohexa-1,5-dienyl)sulfonyl]phenyl]-3-(phenylmethyl)urea IUPAC Name: 1-[2-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylphenyl]-3-benzylurea Traditional Name: 1-[2-(2-aminocyclohexa-1,5-dien-1-yl)sulfonylphenyl]-3-benzyl-urea Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2NC(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

C1CC(=C(C=C1)S(=O)(=O)C2=CC=CC=C2NC(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N3O3S/c21-16-10-4-6-12-18(16)27(25,26)19-13-7-5-11-17(19)23-20(24)22-14-15-8-2-1-3-9-15/h1-3,5-9,11-13H,4,10,14,21H2,(H2,22,23,24)