1-[4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]urea

Systemtic Name: 1-[4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]phenyl]urea Openeye Name: [4-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]phenyl]urea CAS Name: [4-[[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]phenyl]urea IUPAC Name: [4-[[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]phenyl]urea Traditional Name: [4-[[(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]carbamoyl]phenyl]urea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H26N4O3S/c1-21(2,3)14-6-9-16-13(10-14)11-17(29-16)19(27)25-24-18(26)12-4-7-15(8-5-12)23-20(22)28/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,24,26)(H,25,27)(H3,22,23,28)