1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea

Systemtic Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea Openeye Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea CAS Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea IUPAC Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O3S3/c1-29-18-8-4-2-6-16(18)23-20(30)22-14-10-12-15(13-11-14)32(27,28)26-25-21-24-17-7-3-5-9-19(17)31-21/h2-13,26H,1H3,(H,24,25)(H2,22,23,30)