1-[2-(3-bromanyl-4-butylsulfanyl-phenyl)ethanoylamino]-3-methyl-thiourea

Systemtic Name: 1-[2-(3-bromanyl-4-butylsulfanyl-phenyl)ethanoylamino]-3-methyl-thiourea Openeye Name: 1-[[2-(3-bromo-4-butylsulfanyl-phenyl)acetyl]amino]-3-methyl-thiourea CAS Name: 1-[[2-[3-bromo-4-(butylthio)phenyl]-1-oxoethyl]amino]-3-methylthiourea IUPAC Name: 1-[[2-(3-bromo-4-butylsulfanylphenyl)acetyl]amino]-3-methylthiourea Traditional Name: 1-[[2-[3-bromo-4-(butylthio)phenyl]acetyl]amino]-3-methyl-thiourea Formula: C14H20BrN3OS2 MolecularWeight: 390.3621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1)CC(=O)NNC(=S)NC)Br

Isomeric SMILES

CCCCSC1=C(C=C(C=C1)CC(=O)NNC(=S)NC)Br

InChI

InChI=1S/C14H20BrN3OS2/c1-3-4-7-21-12-6-5-10(8-11(12)15)9-13(19)17-18-14(20)16-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,17,19)(H2,16,18,20)