1-butyl-1-[(3-chloranyl-2-oxidanyl-phenyl)methyl]-3-phenyl-thiourea

Systemtic Name: 1-butyl-1-[(3-chloranyl-2-oxidanyl-phenyl)methyl]-3-phenyl-thiourea Openeye Name: 1-butyl-1-[(3-chloro-2-hydroxy-phenyl)methyl]-3-phenyl-thiourea CAS Name: 1-butyl-1-[(3-chloro-2-hydroxyphenyl)methyl]-3-phenylthiourea IUPAC Name: 1-butyl-1-[(3-chloro-2-hydroxyphenyl)methyl]-3-phenylthiourea Traditional Name: 1-butyl-1-(3-chloro-2-hydroxy-benzyl)-3-phenyl-thiourea Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=C(C(=CC=C1)Cl)O)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCN(CC1=C(C(=CC=C1)Cl)O)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H21ClN2OS/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-13H2,1H3,(H,20,23)