1-[[4-(1,3-benzothiazol-2-yl)-2-methylsulfonyl-phenyl]amino]-3-(2-hexyldecoxymethyl)urea

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)-2-methylsulfonyl-phenyl]amino]-3-(2-hexyldecoxymethyl)urea Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methylsulfonyl-anilino]-3-(2-hexyldecoxymethyl)urea CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methylsulfonylanilino]-3-(2-hexyldecoxymethyl)urea IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methylsulfonylanilino]-3-(2-hexyldecoxymethyl)urea Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)-2-mesyl-anilino]-3-(2-hexyldecoxymethyl)urea Formula: C32H48N4O4S2 MolecularWeight: 616.87792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COCNC(=O)NNC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)COCNC(=O)NNC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)C

InChI

InChI=1S/C32H48N4O4S2/c1-4-6-8-10-11-13-17-25(16-12-9-7-5-2)23-40-24-33-32(37)36-35-28-21-20-26(22-30(28)42(3,38)39)31-34-27-18-14-15-19-29(27)41-31/h14-15,18-22,25,35H,4-13,16-17,23-24H2,1-3H3,(H2,33,36,37)