1-[[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]methyl]urea

Systemtic Name: 1-[[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylphenyl]methyl]urea Openeye Name: [4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]phenyl]methylurea CAS Name: [4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]phenyl]methylurea IUPAC Name: [4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phenyl]methylurea Traditional Name: [4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzyl]urea Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CNC(=O)N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CNC(=O)N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N4O4S2/c18-17(23)19-12-13-3-5-14(6-4-13)16(22)20-7-9-21(10-8-20)27(24,25)15-2-1-11-26-15/h1-6,11H,7-10,12H2,(H3,18,19,23)