N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide Openeye Name: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide CAS Name: N-[2-methoxy-4-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]pentanamide Traditional Name: N-[2-methoxy-4-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N4O5S/c1-3-4-8-20(27)24-18-11-10-16(14-19(18)31-2)23-22(32)25-21(28)12-9-15-6-5-7-17(13-15)26(29)30/h5-7,9-14H,3-4,8H2,1-2H3,(H,24,27)(H2,23,25,28,32)/b12-9+