1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-p-cumenyl-thiourea Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O3S/c1-13(2)15-5-7-16(8-6-15)21-20(27)23-22-19(24)10-4-14-3-9-17-18(11-14)26-12-25-17/h3-11,13H,12H2,1-2H3,(H,22,24)(H2,21,23,27)/b10-4+