N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-[(cyclohexylthio)methyl]coumarilamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C27H36N4O4S/c1-3-5-16-30(22-24(28)31(15-4-2)27(34)29-25(22)32)26(33)23-20(17-36-18-11-7-6-8-12-18)19-13-9-10-14-21(19)35-23/h9-10,13-14,18H,3-8,11-12,15-17,28H2,1-2H3,(H,29,32,34)