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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21N3O3S/c1-11(2)7-8-17-16(23)19-18-15(20)6-4-12-3-5-13-14(9-12)22-10-21-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,20)(H2,17,19,23)/b6-4+