1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanoylamino]thiourea

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenyl)-3-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanoylamino]thiourea Openeye Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]thiourea CAS Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-bromo-2,6-dimethylphenyl)-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]thiourea Traditional Name: 1-(4-bromo-2,6-dimethyl-phenyl)-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]thiourea Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NNC(=O)CC2=C(NC3=C2C=C(C=C3)OC)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NNC(=O)CC2=C(NC3=C2C=C(C=C3)OC)C)C)Br

InChI

InChI=1S/C21H23BrN4O2S/c1-11-7-14(22)8-12(2)20(11)24-21(29)26-25-19(27)10-16-13(3)23-18-6-5-15(28-4)9-17(16)18/h5-9,23H,10H2,1-4H3,(H,25,27)(H2,24,26,29)