N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoylamino]ethyl]-3-methoxy-benzamide

Systemtic Name: N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoylamino]ethyl]-3-methoxy-benzamide Openeye Name: N-[2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoylamino]ethyl]-3-methoxy-benzamide CAS Name: N-[2-[[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]-oxomethyl]amino]ethyl]-3-methoxybenzamide IUPAC Name: N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoylamino]ethyl]-3-methoxybenzamide Traditional Name: N-[2-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylcarbamoylamino]ethyl]-3-methoxy-benzamide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCCNC(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCCNC(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N4O4S/c1-30-16-6-4-5-15(13-16)21(28)24-11-12-25-23(29)26-14-17-9-10-19(31-17)22-27-18-7-2-3-8-20(18)32-22/h2-10,13H,11-12,14H2,1H3,(H,24,28)(H2,25,26,29)