3-butyl-1-[(4S)-3-(indol-3-ylidenemethylamino)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-oxidanyl-urea

Systemtic Name: 3-butyl-1-[(4S)-3-(indol-3-ylidenemethylamino)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]-1-oxidanyl-urea Openeye Name: 3-butyl-1-hydroxy-1-[(4S)-3-(indol-3-ylidenemethylamino)-5,5-dimethyl-2-thioxo-thiazolidin-4-yl]urea CAS Name: 3-butyl-1-hydroxy-1-[(4S)-3-(3-indolylidenemethylamino)-5,5-dimethyl-2-sulfanylidene-4-thiazolidinyl]urea IUPAC Name: 3-butyl-1-hydroxy-1-[(4S)-3-(indol-3-ylidenemethylamino)-5,5-dimethyl-2-sulfanylidene-1,3-thiazolidin-4-yl]urea Traditional Name: 3-butyl-1-hydroxy-1-[(4S)-3-(indol-3-ylidenemethylamino)-5,5-dimethyl-2-thioxo-thiazolidin-4-yl]urea Formula: C19H25N5O2S2 MolecularWeight: 419.5641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1C(SC(=S)N1NC=C2C=NC3=CC=CC=C32)(C)C)O

Isomeric SMILES

CCCCNC(=O)N([C@H]1C(SC(=S)N1NC=C2C=NC3=CC=CC=C32)(C)C)O

InChI

InChI=1S/C19H25N5O2S2/c1-4-5-10-20-17(25)24(26)16-19(2,3)28-18(27)23(16)22-12-13-11-21-15-9-7-6-8-14(13)15/h6-9,11-12,16,22,26H,4-5,10H2,1-3H3,(H,20,25)/t16-/m0/s1