1-[2-(4-bromophenyl)sulfanylethanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-[(4-bromophenyl)thio]acetyl]amino]thiourea Formula: C14H20BrN3OS2 MolecularWeight: 390.3621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CSC1=CC=C(C=C1)Br

InChI

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