5-tert-butyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-tert-butyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 5-tert-butyl-3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]thiophene-2-carboxylic acid CAS Name: 5-tert-butyl-3-[[[[4-[6-(4-morpholinylmethyl)-3-pyridinyl]-1-naphthalenyl]amino]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-tert-butyl-3-[[4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 5-tert-butyl-3-[[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]carbamoylamino]-2-thenoic acid Formula: C30H32N4O4S MolecularWeight: 544.66448

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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=CN=C(C=C4)CN5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)O)NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5

InChI

InChI=1S/C30H32N4O4S/c1-30(2,3)26-16-25(27(39-26)28(35)36)33-29(37)32-24-11-10-21(22-6-4-5-7-23(22)24)19-8-9-20(31-17-19)18-34-12-14-38-15-13-34/h4-11,16-17H,12-15,18H2,1-3H3,(H,35,36)(H2,32,33,37)