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

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21N3O3S/c1-2-3-4-9-17-16(23)19-18-15(20)8-6-12-5-7-13-14(10-12)22-11-21-13/h5-8,10H,2-4,9,11H2,1H3,(H,18,20)(H2,17,19,23)/b8-6+