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

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

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5)C(=O)O

Isomeric SMILES

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(CCC4)N5CCOCC5)C(=O)O

InChI

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