1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3-(4-methoxyphenyl)urea

Systemtic Name: 1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-3-(4-methoxyphenyl)urea CAS Name: 1-[3-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-3-(4-methoxyphenyl)urea Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O3S/c1-29-16-10-8-15(9-11-16)24-22(28)23-13-12-20(27)26-14-4-6-18(26)21-25-17-5-2-3-7-19(17)30-21/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H2,23,24,28)