3-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[(4-nitrobenzoyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[(4-nitrobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[(4-nitrobenzoyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c25-18(21-12-17-5-2-10-29-17)14-3-1-4-15(11-14)22-20(30)23-19(26)13-6-8-16(9-7-13)24(27)28/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,21,25)(H2,22,23,26,30)