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

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-(4-butylphenyl)thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23N3O3S/c1-2-3-4-15-5-9-17(10-6-15)22-21(28)24-23-20(25)12-8-16-7-11-18-19(13-16)27-14-26-18/h5-13H,2-4,14H2,1H3,(H,23,25)(H2,22,24,28)/b12-8+