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

Systemtic Name: 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiourea CAS Name: 1-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]thiourea Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-9(2)14-13(21)16-15-12(18)7-6-10-4-3-5-11(8-10)17(19)20/h3-9H,1-2H3,(H,15,18)(H2,14,16,21)/b7-6+