1-propan-2-yl-1-(3-pyrrol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-propan-2-yl-1-(3-pyrrol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-isopropyl-1-(3-pyrrol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-propan-2-yl-1-[3-(1-pyrrolyl)propyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-propan-2-yl-1-(3-pyrrol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-isopropyl-1-(3-pyrrol-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C18H22F3N3S MolecularWeight: 369.44759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCN1C=CC=C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)N(CCCN1C=CC=C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3N3S/c1-14(2)24(12-6-11-23-9-3-4-10-23)17(25)22-16-8-5-7-15(13-16)18(19,20)21/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,25)