N-(2-diethylaminoethyl)-4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(2-diethylaminoethyl)-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-(2-diethylaminoethyl)-4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-(2-diethylaminoethyl)-4-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-3-25(4-2)14-13-22-19(27)15-5-9-17(10-6-15)23-21(31)24-20(28)16-7-11-18(12-8-16)26(29)30/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,28,31)