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

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiourea Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O3S/c1-11(2)8-9-16-15(23)18-17-14(20)7-6-12-4-3-5-13(10-12)19(21)22/h3-7,10-11H,8-9H2,1-2H3,(H,17,20)(H2,16,18,23)/b7-6+