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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-2-3-4-10-16-15(23)18-17-14(20)9-8-12-6-5-7-13(11-12)19(21)22/h5-9,11H,2-4,10H2,1H3,(H,17,20)(H2,16,18,23)/b9-8+