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

Systemtic Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H21N3O4S/c1-19(16(24)17-8-3-9-21-2)18-15(20)7-5-12-4-6-13-14(10-12)23-11-22-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,17,24)(H,18,20)/b7-5+