5-tert-butyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[[4-(3-morpholinocyclohexen-1-yl)-1-naphthyl]carbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[[[4-[3-(4-morpholinyl)-1-cyclohexenyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[[4-(3-morpholin-4-ylcyclohexen-1-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[[4-(3-morpholinocyclohexen-1-yl)-1-naphthyl]carbamoylamino]-2-thenoic acid Formula: C30H35N3O4S MolecularWeight: 533.6816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5

InChI

InChI=1S/C30H35N3O4S/c1-30(2,3)26-18-25(27(38-26)28(34)35)32-29(36)31-24-12-11-21(22-9-4-5-10-23(22)24)19-7-6-8-20(17-19)33-13-15-37-16-14-33/h4-5,9-12,17-18,20H,6-8,13-16H2,1-3H3,(H,34,35)(H2,31,32,36)