1-[5-tert-butyl-3-(2-methyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[5-tert-butyl-3-(2-methyl-3-oxidanylidene-piperazin-1-yl)carbonyl-thiophen-2-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-3-(2-methyl-3-oxo-piperazine-1-carbonyl)-2-thienyl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-3-[(2-methyl-3-oxo-1-piperazinyl)-oxomethyl]-2-thiophenyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-3-(2-methyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-3-(3-keto-2-methyl-piperazine-1-carbonyl)-2-thienyl]-3-(4-chlorophenyl)urea Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1C(=O)NCCN1C(=O)C2=C(SC(=C2)C(C)(C)C)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3S/c1-12-17(27)23-9-10-26(12)19(28)15-11-16(21(2,3)4)30-18(15)25-20(29)24-14-7-5-13(22)6-8-14/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H2,24,25,29)