1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-3-yl]guanidine

Systemtic Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxidanylidene-1-(2-oxidanylidene-2-thiophen-3-yl-ethyl)azepan-3-yl]guanidine Openeye Name: 1-cyano-3-(2-methylbenzofuran-5-yl)-2-[2-oxo-1-[2-oxo-2-(3-thienyl)ethyl]azepan-3-yl]guanidine CAS Name: 1-cyano-3-(2-methyl-5-benzofuranyl)-2-[2-oxo-1-[2-oxo-2-(3-thiophenyl)ethyl]-3-azepanyl]guanidine IUPAC Name: 1-cyano-3-(2-methyl-1-benzofuran-5-yl)-2-[2-oxo-1-(2-oxo-2-thiophen-3-ylethyl)azepan-3-yl]guanidine Traditional Name: 1-cyano-2-[2-keto-1-[2-keto-2-(3-thienyl)ethyl]azepan-3-yl]-3-(2-methylbenzofuran-5-yl)guanidine Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)C4=CSC=C4)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)C4=CSC=C4)NC#N

InChI

InChI=1S/C23H23N5O3S/c1-15-10-17-11-18(5-6-21(17)31-15)26-23(25-14-24)27-19-4-2-3-8-28(22(19)30)12-20(29)16-7-9-32-13-16/h5-7,9-11,13,19H,2-4,8,12H2,1H3,(H2,25,26,27)