1-(2,3-dimethylphenyl)-3-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[(Z)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethylideneamino]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[(Z)-1-(4-pyrrolidinosulfonylphenyl)ethylideneamino]thiourea Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NN=C(C)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N/N=C(/C)\C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N4O2S2/c1-15-7-6-8-20(16(15)2)22-21(28)24-23-17(3)18-9-11-19(12-10-18)29(26,27)25-13-4-5-14-25/h6-12H,4-5,13-14H2,1-3H3,(H2,22,24,28)/b23-17-