1,1-bis[3-(dimethylamino)propyl]-3-[2-(furan-2-ylmethylsulfonyl)ethyl]-3-propan-2-yl-urea

Systemtic Name: 1,1-bis[3-(dimethylamino)propyl]-3-[2-(furan-2-ylmethylsulfonyl)ethyl]-3-propan-2-yl-urea Openeye Name: 1,1-bis[3-(dimethylamino)propyl]-3-[2-(2-furylmethylsulfonyl)ethyl]-3-isopropyl-urea CAS Name: 1,1-bis[3-(dimethylamino)propyl]-3-[2-(2-furanylmethylsulfonyl)ethyl]-3-propan-2-ylurea IUPAC Name: 1,1-bis[3-(dimethylamino)propyl]-3-[2-(furan-2-ylmethylsulfonyl)ethyl]-3-propan-2-ylurea Traditional Name: 1,1-bis[3-(dimethylamino)propyl]-3-[2-(2-furfurylsulfonyl)ethyl]-3-isopropyl-urea Formula: C21H40N4O4S MolecularWeight: 444.6317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCS(=O)(=O)CC1=CC=CO1)C(=O)N(CCCN(C)C)CCCN(C)C

Isomeric SMILES

CC(C)N(CCS(=O)(=O)CC1=CC=CO1)C(=O)N(CCCN(C)C)CCCN(C)C

InChI

InChI=1S/C21H40N4O4S/c1-19(2)25(15-17-30(27,28)18-20-10-7-16-29-20)21(26)24(13-8-11-22(3)4)14-9-12-23(5)6/h7,10,16,19H,8-9,11-15,17-18H2,1-6H3