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

Systemtic Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NN(C)C(=S)NCCCOC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)NN(C)C(=S)NCCCOC

InChI

InChI=1S/C18H28N4O2S/c1-13-12-15(14(2)22(13)16-7-8-16)6-9-17(23)20-21(3)18(25)19-10-5-11-24-4/h6,9,12,16H,5,7-8,10-11H2,1-4H3,(H,19,25)(H,20,23)/b9-6+