1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-2-3-5-15-8-11-17(12-9-15)21-20(28)23-22-19(25)13-10-16-6-4-7-18(14-16)24(26)27/h4,6-14H,2-3,5H2,1H3,(H,22,25)(H2,21,23,28)/b13-10+