1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]thiourea CAS Name: 1-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]thiourea Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H16BrN3O2S/c1-11-14-9-13(19)7-8-15(14)24-16(11)17(23)21-22-18(25)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,23)(H2,20,22,25)