N-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-4-butoxybenzamide Traditional Name: N-[2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl]-4-butoxy-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-2-3-12-28-16-10-8-15(9-11-16)21(27)23-13-20(26)24-17-6-4-5-7-18(17)29-14-19(22)25/h4-11H,2-3,12-14H2,1H3,(H2,22,25)(H,23,27)(H,24,26)