1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H20N4O3S3/c1-22-16-4-2-3-5-17(16)28-19(22)21-18(27)20-14-6-8-15(9-7-14)29(24,25)23-10-12-26-13-11-23/h2-9H,10-13H2,1H3,(H,20,27)