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

Systemtic Name: 1-tert-butyl-3-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]thiourea Openeye Name: 1-tert-butyl-3-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[(E)-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]amino]thiourea Formula: C17H26N4OS MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=CC(=O)NNC(=S)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C/C(=O)NNC(=S)NC(C)(C)C

InChI

InChI=1S/C17H26N4OS/c1-11-10-13(12(2)21(11)14-7-8-14)6-9-15(22)19-20-16(23)18-17(3,4)5/h6,9-10,14H,7-8H2,1-5H3,(H,19,22)(H2,18,20,23)/b9-6+