N-[[4-(aminocarbonylamino)phenyl]methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(aminocarbonylamino)phenyl]methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[(4-ureidophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[[4-(carbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[[4-(carbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-(4-ureidobenzyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)NC(=O)N

InChI

InChI=1S/C21H27N3O2S/c1-21(2,3)15-6-9-17-14(10-15)11-18(27-17)19(25)23-12-13-4-7-16(8-5-13)24-20(22)26/h4-5,7-8,11,15H,6,9-10,12H2,1-3H3,(H,23,25)(H3,22,24,26)