N-[(4-butylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(4-butylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-3-4-5-13-6-9-15(10-7-13)20-19(27)21-18(23)14-8-11-17(26-2)16(12-14)22(24)25/h6-12H,3-5H2,1-2H3,(H2,20,21,23,27)