1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea Openeye Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]amino]-3-cyclopentyl-thiourea Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)NNC(=S)NC2CCCC2)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)NNC(=S)NC2CCCC2)OC

InChI

InChI=1S/C20H29N3O3S/c1-3-4-13-26-17-11-9-15(14-18(17)25-2)10-12-19(24)22-23-20(27)21-16-7-5-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,22,24)(H2,21,23,27)/b12-10+