1-(3-methylbutanoylamino)-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(3-methylbutanoylamino)-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(3-methylbutanoylamino)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(3-methylbutanoylamino)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(isovalerylamino)-3-(4-phenoxyphenyl)thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C18H21N3O2S/c1-13(2)12-17(22)20-21-18(24)19-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,22)(H2,19,21,24)