(E)-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[(4-sec-butoxyphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-N-[(4-butan-2-yloxyanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[(4-sec-butoxyphenyl)thiocarbamoyl]acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-3-14(2)27-18-10-8-16(9-11-18)21-20(28)22-19(24)12-7-15-5-4-6-17(13-15)23(25)26/h4-14H,3H2,1-2H3,(H2,21,22,24,28)/b12-7+