1-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H17ClN6O4S3 MolecularWeight: 549.04548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)Cl

InChI

InChI=1S/C21H17ClN6O4S3/c1-32-13-5-8-15-16(11-13)34-18(17(15)22)19(29)26-27-21(33)25-12-3-6-14(7-4-12)35(30,31)28-20-23-9-2-10-24-20/h2-11H,1H3,(H,26,29)(H,23,24,28)(H2,25,27,33)