1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C=CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H21N3O3S/c1-3-15-6-4-5-13(2)19(15)21-20(27)23-22-18(24)10-8-14-7-9-16-17(11-14)26-12-25-16/h4-11H,3,12H2,1-2H3,(H,22,24)(H2,21,23,27)/b10-8+