N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-(2-hydroxyethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(2-hydroxyethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2-hydroxyethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)CCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)CCO

InChI

InChI=1S/C16H15N3O4S/c20-9-8-11-4-6-13(7-5-11)17-16(24)18-15(21)12-2-1-3-14(10-12)19(22)23/h1-7,10,20H,8-9H2,(H2,17,18,21,24)