1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O4S2/c1-14-12-20(25)28-19-13-16(6-9-18(14)19)23-21(29)22-15-4-7-17(8-5-15)30(26,27)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H2,22,23,29)