1-[3-(4-bromophenyl)-2-chloranyl-propyl]-3-(hexanoylamino)thiourea

Systemtic Name: 1-[3-(4-bromophenyl)-2-chloranyl-propyl]-3-(hexanoylamino)thiourea Openeye Name: 1-[3-(4-bromophenyl)-2-chloro-propyl]-3-(hexanoylamino)thiourea CAS Name: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(1-oxohexylamino)thiourea IUPAC Name: 1-[3-(4-bromophenyl)-2-chloropropyl]-3-(hexanoylamino)thiourea Traditional Name: 1-[3-(4-bromophenyl)-2-chloro-propyl]-3-(caproylamino)thiourea Formula: C16H23BrClN3OS MolecularWeight: 420.79532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NCC(CC1=CC=C(C=C1)Br)Cl

Isomeric SMILES

CCCCCC(=O)NNC(=S)NCC(CC1=CC=C(C=C1)Br)Cl

InChI

InChI=1S/C16H23BrClN3OS/c1-2-3-4-5-15(22)20-21-16(23)19-11-14(18)10-12-6-8-13(17)9-7-12/h6-9,14H,2-5,10-11H2,1H3,(H,20,22)(H2,19,21,23)