1-butyl-3-[(3-methoxyphenyl)methyl]thiourea

Systemtic Name: 1-butyl-3-[(3-methoxyphenyl)methyl]thiourea Openeye Name: 1-butyl-3-[(3-methoxyphenyl)methyl]thiourea CAS Name: 1-butyl-3-[(3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-butyl-3-[(3-methoxyphenyl)methyl]thiourea Traditional Name: 1-butyl-3-m-anisyl-thiourea Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC(=CC=C1)OC

Isomeric SMILES

CCCCNC(=S)NCC1=CC(=CC=C1)OC

InChI

InChI=1S/C13H20N2OS/c1-3-4-8-14-13(17)15-10-11-6-5-7-12(9-11)16-2/h5-7,9H,3-4,8,10H2,1-2H3,(H2,14,15,17)