1-[[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]-3-(3-chloranyl-4-methoxy-phenyl)thiourea

Systemtic Name: 1-[[5-bromanyl-2-oxidanylidene-1-(phenylmethyl)indol-3-ylidene]amino]-3-(3-chloranyl-4-methoxy-phenyl)thiourea Openeye Name: 1-[(1-benzyl-5-bromo-2-oxo-indolin-3-ylidene)amino]-3-(3-chloro-4-methoxy-phenyl)thiourea CAS Name: 1-[[5-bromo-2-oxo-1-(phenylmethyl)-3-indolylidene]amino]-3-(3-chloro-4-methoxyphenyl)thiourea IUPAC Name: 1-[(1-benzyl-5-bromo-2-oxoindol-3-ylidene)amino]-3-(3-chloro-4-methoxyphenyl)thiourea Traditional Name: 1-[(1-benzyl-5-bromo-2-keto-indolin-3-ylidene)amino]-3-(3-chloro-4-methoxy-phenyl)thiourea Formula: C23H18BrClN4O2S MolecularWeight: 529.83662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H18BrClN4O2S/c1-31-20-10-8-16(12-18(20)25)26-23(32)28-27-21-17-11-15(24)7-9-19(17)29(22(21)30)13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,26,28,32)