3-[4-[[5,6-bis(chloranyl)-2-methyl-2-oxidanyl-3-prop-2-ynyl-benzimidazol-1-yl]methyl]phenyl]-1-methyl-1-phenyl-thiourea

Systemtic Name: 3-[4-[[5,6-bis(chloranyl)-2-methyl-2-oxidanyl-3-prop-2-ynyl-benzimidazol-1-yl]methyl]phenyl]-1-methyl-1-phenyl-thiourea Openeye Name: 3-[4-[(5,6-dichloro-2-hydroxy-2-methyl-3-prop-2-ynyl-benzimidazol-1-yl)methyl]phenyl]-1-methyl-1-phenyl-thiourea CAS Name: 3-[4-[(5,6-dichloro-2-hydroxy-2-methyl-3-prop-2-ynyl-1-benzimidazolyl)methyl]phenyl]-1-methyl-1-phenylthiourea IUPAC Name: 3-[4-[(5,6-dichloro-2-hydroxy-2-methyl-3-prop-2-ynylbenzimidazol-1-yl)methyl]phenyl]-1-methyl-1-phenylthiourea Traditional Name: 3-[4-[(5,6-dichloro-2-hydroxy-2-methyl-3-propargyl-benzimidazol-1-yl)methyl]phenyl]-1-methyl-1-phenyl-thiourea Formula: C26H24Cl2N4OS MolecularWeight: 511.46596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=CC(=C(C=C2N1CC3=CC=C(C=C3)NC(=S)N(C)C4=CC=CC=C4)Cl)Cl)CC#C)O

Isomeric SMILES

CC1(N(C2=CC(=C(C=C2N1CC3=CC=C(C=C3)NC(=S)N(C)C4=CC=CC=C4)Cl)Cl)CC#C)O

InChI

InChI=1S/C26H24Cl2N4OS/c1-4-14-31-23-15-21(27)22(28)16-24(23)32(26(31,2)33)17-18-10-12-19(13-11-18)29-25(34)30(3)20-8-6-5-7-9-20/h1,5-13,15-16,33H,14,17H2,2-3H3,(H,29,34)