1-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-[3-[(4-methoxyphenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]-3-prop-2-enylthiourea IUPAC Name: 1-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidino-phenyl]thiourea Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC=C)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=S)NCC=C)N3CCCC3

InChI

InChI=1S/C21H26N4O3S2/c1-3-12-22-21(29)23-17-8-11-19(25-13-4-5-14-25)20(15-17)30(26,27)24-16-6-9-18(28-2)10-7-16/h3,6-11,15,24H,1,4-5,12-14H2,2H3,(H2,22,23,29)