N-[[4-(aminocarbonylamino)phenyl]methyl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[(4-ureidophenyl)methyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[[4-(carbamoylamino)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[[4-(carbamoylamino)phenyl]methyl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(4-ureidobenzyl)acetamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=C(C=C2)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC2=CC=C(C=C2)NC(=O)N

InChI

InChI=1S/C18H20BrN3O2S/c1-11-8-16(12(2)7-15(11)19)25-10-17(23)21-9-13-3-5-14(6-4-13)22-18(20)24/h3-8H,9-10H2,1-2H3,(H,21,23)(H3,20,22,24)