2-formamido-3-(1H-indol-3-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-formamido-3-(1H-indol-3-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-formamido-3-(1H-indol-3-yl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-formamido-3-(1H-indol-3-yl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-formamido-3-(1H-indol-3-yl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-formamido-3-(1H-indol-3-yl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C25H22N4O2S3 MolecularWeight: 506.66278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5=CSC=C5)NC=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NC3=CC4=C(C=C3)N=C(S4)SCCC5=CSC=C5)NC=O

InChI

InChI=1S/C25H22N4O2S3/c30-15-27-22(11-17-13-26-20-4-2-1-3-19(17)20)24(31)28-18-5-6-21-23(12-18)34-25(29-21)33-10-8-16-7-9-32-14-16/h1-7,9,12-15,22,26H,8,10-11H2,(H,27,30)(H,28,31)