4-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[2-[(2-amino-2-oxoethyl)thio]anilino]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[2-[(2-amino-2-keto-ethyl)thio]anilino]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CNC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C21H26N4O3S/c1-3-25(4-2)21(28)15-9-11-16(12-10-15)24-20(27)13-23-17-7-5-6-8-18(17)29-14-19(22)26/h5-12,23H,3-4,13-14H2,1-2H3,(H2,22,26)(H,24,27)