1-[(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[(5-bromanyl-2-oxidanylidene-1-prop-2-enyl-indol-3-ylidene)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[(1-allyl-5-bromo-2-oxo-indolin-3-ylidene)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[(5-bromo-2-oxo-1-prop-2-enyl-3-indolylidene)amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)amino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[(1-allyl-5-bromo-2-keto-indolin-3-ylidene)amino]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC=C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NN=C2C3=C(C=CC(=C3)Br)N(C2=O)CC=C)C

InChI

InChI=1S/C21H21BrN4OS/c1-4-11-26-17-10-9-15(22)12-16(17)19(20(26)27)24-25-21(28)23-18-13(3)7-6-8-14(18)5-2/h4,6-10,12H,1,5,11H2,2-3H3,(H2,23,25,28)