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

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

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5)C(=O)O

Isomeric SMILES

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CN=C(C=C4)CN5CCOCC5)C(=O)O

InChI

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