1-[[(Z)-(5-bromanylindol-3-ylidene)methyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[[(Z)-(5-bromanylindol-3-ylidene)methyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[[(Z)-(5-bromoindol-3-ylidene)methyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[[(Z)-(5-bromo-3-indolylidene)methyl]amino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[[(Z)-(5-bromoindol-3-ylidene)methyl]amino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[[(Z)-(5-bromoindol-3-ylidene)methyl]amino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C20H20BrN5O3S2 MolecularWeight: 522.4385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NNC=C3C=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN/C=C/3\C=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O3S2/c21-15-1-6-19-18(11-15)14(12-22-19)13-23-25-20(30)24-16-2-4-17(5-3-16)31(27,28)26-7-9-29-10-8-26/h1-6,11-13,23H,7-10H2,(H2,24,25,30)/b14-13+