1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiourea Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C16H20N4O5S/c1-10(2)5-6-17-16(26)19-18-15(21)4-3-11-7-13-14(25-9-24-13)8-12(11)20(22)23/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,18,21)(H2,17,19,26)/b4-3+